IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C(O)(C(=O)OC)C(OC(C)=O)C4(CC)C=CCN5CCC31C54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Vinorelbine Tartrate is the ditartrate salt of a semisynthetic vinca alkaloid derived from the leaves of the periwinkle plant (Vinca rosea) with antineoplastic properties.  Vinorelbine binds to tubulin, thereby inhibiting tubulin polymerization into microtubules and spindle formation and resulting in apoptosis of susceptible cancer cells. Inhibition of mitotic microtubules correlates with antitumor activity, whereas inhibition of axonal microtubules seems to correlate with vinorelbine's neurotoxicity. Compared to related vinca alkaloids, vinorelbine is more selective against mitotic than axonal microtubules in vitro, which may account for its decreased neurotoxicity.  This agent is also a radiation-sensitizing agent. (NCI04)
Molecule SMILES: CN1C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OCC2OC(CC(=O)NCc3ccccc3F)CCC21

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: N-[(2R,4aR,12aS)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide is an aromatic amide.
Molecule SMILES: CCCCCCC1C(=O)NC(C(=O)SCC(NC(C)=O)C(=O)OC)(C(O)C2C=CCCC2)C1(C)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: cinnabaramide G is a natural product found in Streptomyces with data available.
Molecule SMILES: CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3=O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Ganoweberianic acid D is a natural product found in Ganoderma weberianum with data available.
Molecule SMILES: CC(=O)OC1CC2C(C(O)C(=O)C3CC4OC4C(OC(C)=O)C32C)C2C(O)C3C(C(C)C=C4OC(=O)C(C)(O)C43C)C12C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: Taccalonolide N is a natural product found in Tacca chantrieri with data available.
Molecule SMILES: CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: CL(1'-[16:0/16:1(9Z)],3'-[16:1(9Z)/16:1(9Z)]) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: COc1cc(C=Cc2cc(O)cc(O)c2)ccc1OC1OC(CO)C(O)C(O)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: 2-[4-[2-(3,5-Dihydroxyphenyl)ethenyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Gnetum parvifolium and Gnetum montanum with data available.
Molecule SMILES: CC(=O)OC1CC2(C(C)(C)O)C(=C1C)C(OC(=O)c1ccccc1)C(OC(C)=O)C1(C)C(OC(C)=O)CC3OCC3(OC(C)=O)C1C2OC(C)=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: [2,5,9,11,16-Pentaacetyloxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadec-6-en-8-yl] benzoate is a natural product found in Taxus canadensis with data available.
Molecule SMILES: O=C(O)CN=CC=C1C=C(C(=O)O)NC(C(=O)O)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Portulacaxanthin III is a non-proteinogenic alpha-amino acid.
Molecule SMILES: O=C(O)CN=CC=C1C=C(C(=O)O)NC(C(=O)O)C1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Portulacaxanthin III is a natural product found in Portulaca grandiflora with data available.
Molecule SMILES: CC(=O)C1CCC2C3CCC4CC(N(C)C(=O)c5ccccc5)CCC4(C)C3CCC12C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: terminamine G is a natural product found in Pachysandra terminalis with data available.
Molecule SMILES: C=CCc1c(O)c(OC)cc2c1OC(c1cc(OC)c(OC)c(OC)c1)C2C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: (2S,3S)-5-methoxy-3-methyl-7-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol is a natural product found in Aniba with data available.
Molecule SMILES: CC(=O)OCC12CCC3(C)C4C(=CCC3(C)C1C(O)CC2C(C)C)C1(C)CC(O)C(=O)C(C)(C)C1CC4O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: [(1R,3S,3aR,5aS,5bS,6S,7aR,10R,11aS,13aR,13bS)-1,6,10-trihydroxy-5a,8,8,11a,13a-pentamethyl-9-oxo-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-3a-yl]methyl acetate is a natural product found in Rubia yunnanensis with data available.
Molecule SMILES: C=C1CC(O)C2C(CNCCCC(=O)O)C(=O)OC2C2C(=C)C(O)CC12

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 4-[[(3R,3aR,4S,6aR,8S,9aR,9bS)-4,8-dihydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methylamino]butanoic acid is a natural product found in Saussurea pulchella with data available.
Molecule SMILES: O=C([O-])CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1.[Na+]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: LSM-6326 is an organonitrogen heterocyclic compound.
Molecule SMILES: CN1CC(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)OC(Cc2ccccc2)C1=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: Clavatustide B is a natural product found in Aspergillus clavatus with data available.
Molecule SMILES: CC12CCC3C(CCC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC43C)C1CCC2O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 5alpha-androstane-3beta,17beta-diol 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 5alpha-androstane-3beta,17beta-diol having a single beta-D-glucuronic acid residue attached at position 3. It is a biochemical marker of peripheral tissue androgen metabolism. It has a role as a human urinary metabolite and a human blood serum metabolite. It is a steroid glucosiduronic acid, a 17beta-hydroxy steroid and a beta-D-glucosiduronic acid. It is functionally related to a 5alpha-androstane-3alpha,17beta-diol and a beta-D-glucuronic acid.
Molecule SMILES: CCCCCCC(O)CCCCCCCCCCC(=O)OCC(O)CO

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 2,3-Dihydroxypropyl 12-hydroxyoctadecanoate is a natural product found in Schisandra chinensis with data available.
Molecule SMILES: CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(CO)CCC12C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Canophyllol is a natural product found in Elaeodendron croceum, Plenckia populnea, and other organisms with data available.
Molecule SMILES: C=CCOc1cc2c(cc1OC)C(C)C(c1cc(OC)c(OC)c(OC)c1)O2

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 5-Methoxy-3-methyl-6-prop-2-enoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran is a natural product found in Aniba with data available.
Molecule SMILES: COC12OC(C)(C)C3CC31C(O)CC(=CC(C)O)C2=O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: 6-O-Methylpapyracon B is a natural product found in Lachnum papyraceum with data available.
Molecule SMILES: CCCCCCCC(C)CC(CC=CCCC(=O)NC(COC)C(O)C1C(=O)C(C)(C)C(O)C(C)C1O)OC

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: Malyngamide D is a natural product found in Lyngbya majuscula with data available.
Molecule SMILES: CCCCCCCCCCCCCCC1OC(C(O)CCC(O)CCCCCC(O)CC2=CC(C)OC2=O)CCC1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Pyragonicin is a natural product found in Goniothalamus giganteus with data available.
Molecule SMILES: O=C(O)CCC(O)CC(=O)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 4-hydroxy-2-oxoheptanedioic acid is an oxo dicarboxylic acid consisting of pimelic acid substituted at positions 2 and 4 by oxo and hydroxy groups respectively. It is an oxo dicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to a pimelic acid. It is a conjugate acid of a 4-hydroxy-2-oxoheptanedioate. It is a tautomer of a 2,4-dihydroxyhept-2-enedioic acid.
Molecule SMILES: C=CC(=C)C(O)CC1C(=C)CCC2C(C)(C(=O)O)CCCC12C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: (1S,4aR,5S,8aR)-5-[(2S)-2-hydroxy-3-methylidenepent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid is a natural product found in Thuja standishii with data available.
Molecule SMILES: CC(C)=CCCC(C)=CCOC(=O)c1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Geranyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of geraniol. It has a role as a plant metabolite and a fragrance. It is a benzoate ester, a monoterpenoid and an olefinic compound. It is functionally related to a geraniol and a benzoic acid.
Molecule SMILES: CC(C)=CCCC(C)=CCOC(=O)c1ccccc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Geranyl benzoate is a natural product found in Acca sellowiana and Daphne odora with data available.
Molecule SMILES: CCC(C)C.CCC(CC(C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1.N.[Cl-]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Cholestyramine appears as white to buff-colored fine powder. Odorless or a slight amine odor. Insoluble in water. A synthetic strongly basic anion exchange resin in which quaternary ammonium groups are attached to a styrene/divinylbenzene copolymer chain.
Molecule SMILES: CCC(C)C.CCC(CC(C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1.N.[Cl-]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Cholestyramine is a nonabsorbed bile acid sequestrant that is used a therapy of hyperlipidemia and for the pruritus of chronic liver disease and biliary obstruction. Cholestyramine has been associated with mild and transient serum enzyme elevations during therapy, but has not been linked to cases of clinically apparent liver injury with jaundice.
Molecule SMILES: CCC(C)C.CCC(CC(C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1.N.[Cl-]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Cholestyramine or colestyramine is a bile acid sequestrant. Bile acid sequestrants are polymeric compounds which serve as ion exchange resins. Cholestyramine resin is quite hydrophilic, but insoluble in water.
Molecule SMILES: CCC(C)C.CCC(CC(C)c1ccccc1)c1ccc(C[N+](C)(C)C)cc1.N.[Cl-]

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a description of this molecule <molecule_2d> .

assistant: Cholestyramine is an anion exchange resin with hypolipidemic activity. Cholestyramine resin adsorbs and combines with bile acids in the intestine to form an insoluble complex, which is then excreted in the feces, resulting in an increased oxidation of cholesterol to bile acids, a decrease in low density lipoprotein in the plasma, and a decrease in serum cholesterol levels.
Molecule SMILES: c1cnoc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Isoxazole is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles. It is a mancude organic heteromonocyclic parent, a monocyclic heteroarene and a member of isoxazoles.
Molecule SMILES: c1cnoc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: Isoxazole is a natural product found in Nicotiana tabacum with data available.
Molecule SMILES: CN1CCc2cc3c(cc2C12Cc1ccc4c(c1C2=O)OCO4)OCO3

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Tell me something about this molecule: <molecule_2d>

assistant: Fumariline is a natural product found in Fumaria capreolata, Fumaria muralis, and other organisms with data available.
Molecule SMILES: C=C1C(O)CCC2(C)C(O)C(OC(C)=O)C3=C(C)C(=O)CC(O)(C(OC(C)=O)C12)C3(C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: (2-Acetyloxy-1,5,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-10-tricyclo[9.3.1.03,8]pentadec-11-enyl) acetate is a natural product found in Taxus baccata with data available.
Molecule SMILES: CC(C)C1CCC2C1(C)CCC1(C)C3CCC4C(C)(C)CCCC4(CO)C3=CCC21C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: Fern-9(11)-en-25-ol is a natural product found in Adiantum raddianum and Lindsaea trichomanoides with data available.
Molecule SMILES: CC=C(C)C(=O)OC1C2C3(C)CCC(OC4CC(OC)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(OC)C5O)C(C)O4)CC3CCC23OC32CCC(C(C)=O)C2(C)C1O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: [(1S,3R,6S,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-hydroxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate is a natural product found in Marsdenia tenacissima with data available.
Molecule SMILES: NC(N)=NCCCC(NC(=O)CCC(=O)OC[N+]1(c2cc(=O)c3cccc(-c4ccccc4)c3o2)CCOCC1)C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> What do you know about the molecule?

assistant: SF1126 is an integrin-targeted PI3 kinase inhibitor.
Molecule SMILES: NC(N)=NCCCC(NC(=O)CCC(=O)OC[N+]1(c2cc(=O)c3cccc(-c4ccccc4)c3o2)CCOCC1)C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)NC(CO)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: pan-PI3K/mTOR Inhibitor SF1126 is a water soluble, small-molecule prodrug containing the pan-PI3K/mTOR inhibitor LY294002/SF1101 conjugated to the RGD-containing tetra-peptide SF1174 with potential antineoplastic and antiangiogenic activities. The targeting peptide SF1174 moiety of pan-PI3K/mTOR inhibitor SF1126 selectively binds to cell surface integrins and, upon cell entry, the agent is hydrolyzed to the active drug SF1101; SF1101 selectively inhibits all isoforms of phosphoinositide-3-kinase (PI3K) and other members of the PI3K superfamily, such as the mammalian target of rapamycin (mTOR) and DNA-PK. By inhibiting the PI3K signaling pathway, this agent may inhibit tumor cell and tumor endothelial cell proliferation and survival.
Molecule SMILES: COC1CCC(OC2C(C)C(C3CCC(C4CCC(C5(C)OC6(OC(CC7OC(O)(C(C)C(=O)O)C(C)C(OC)C7(C)OC)CC(OC)C6C)C(C)C5OC)O4)O3)OC(C)(O)C2C)OC1C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Martinomycin is a natural product found in Streptomyces with data available.
Molecule SMILES: COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 7,3',4'-Trimethoxyisoflavone is a natural product found in Myroxylon peruiferum, Muntingia calabura, and other organisms with data available.
Molecule SMILES: C=C1CCC2C(C1)C(C(C)C)CCC2(C)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: epi-beta-Cadinol is a natural product found in Leminda millecra with data available.
Molecule SMILES: CC(=CCO)CCC1(C)C(C)CCC2(COC(=O)CCC(=O)O)C(C)=CCCC21

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Please give me some details about this molecule <molecule_2d> .

assistant: 4-[[(4aS,7R,8S,8aR)-8-[(E)-5-hydroxy-3-methylpent-3-enyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methoxy]-4-oxobutanoic acid is a natural product found in Chrysothamnus stylosus with data available.
Molecule SMILES: C=C1CCC2CC(C(=C)C)C2(C)CCC(C(=C)C(=O)OC)CC1CC=C(C)C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: methyl 2-[(1S,4S,6R,10R,12R)-1-methyl-6-(3-methylbut-2-enyl)-7-methylidene-12-prop-1-en-2-yl-4-bicyclo[8.2.0]dodecanyl]prop-2-enoate is a natural product found in Raoulia australis with data available.
Molecule SMILES: C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(CO)C1CC3)C(C)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: (2S,6R)-6-[(3R,4S,5R,10S,12S,13R,14S,17R)-3-[(3R)-4-carboxy-3-hydroxy-3-methylbutanoyl]oxy-12-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid is a natural product found in Fomitopsis betulina with data available.
Molecule SMILES: CC(C)CCC=CC=CC(=O)NC(C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)C(=O)O)C(=O)NC(C(C)C)C(=O)N2CC(C)CC2C(=O)NC1C)C(C)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Malacidin A is a homodetic cyclic peptide containing a 28-membered ring and consisting of 3-methyl-N-[(2E,4Z)-8-methylnona-2,4-dienoyl]-L-alpha-aspartyl, (2S)-2,3-diaminobutanoyl, D-valyl, L-lysyl, 3-hydroxy-L-alpha-aspartyl, L-alpha-aspartyl, glycyl, 3-methyl-D-alpha-aspartyl, L-valyl, and (4R)-methyl-L-proline joined in sequence and cyclised by condensation of the beta-amino group of the 2,3-diaminobutanoyl residue with the carboxy group of the 4-methylproline residue. It has a role as a bacterial metabolite, a member of calcium-dependent antibiotics and an antibacterial agent. It is a homodetic cyclic peptide and a lipopeptide.
Molecule SMILES: CC(C)CCC=CC=CC(=O)NC(C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(O)C(=O)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(C)C(=O)O)C(=O)NC(C(C)C)C(=O)N2CC(C)CC2C(=O)NC1C)C(C)C(=O)O

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Malacidin A, along with [DB14052], is a member of a class of chemicals made by bacteria found in soil that can kill Gram-positive bacteria. Malacidins are 10-member macrocycle lipopeptides discovered via gene sequencing and bioinformatic analysis. While structurally similar to other macrocycle drugs like [DB00080] and [DB06087], Malacidin A appears to act via its own distinct mechanism.
Molecule SMILES: CN(C)CCc1ccc(OCC2=CC34CC5C6C7(C)CCCC68C(C3CC2CC48)N5C7)cc1

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: N,N-dimethyl-2-[4-[(5-methyl-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadec-12-en-12-yl)methoxy]phenyl]ethanamine is a natural product found in Aconitum seravschanicum with data available.
Molecule SMILES: CNCC1Oc2c(NC(=O)NC3CCCCC3)cccc2C(=O)N(C(C)CO)CC1C

system: You are a chemist. Now you are given a representation of a molecule. Please help me to understand the molecule.

user: Describe this molecule: <molecule_2d> .

assistant: 1-cyclohexyl-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea is an aromatic ether.