IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)C(OC(C)=O)C(C)C(C)(O)C2OC(=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: Kadsuphilin E is a natural product found in Kadsura philippinensis with data available.
Molecule SMILES: CCC(=O)Nc1ccc2c(c1)OCC(C)N(C(=O)c1ccc(F)cc1)CC(C)C(OC)CN(C)C2=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: N-[(5R,6R,9S)-8-[(4-fluorophenyl)-oxomethyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide is an azamacrocycle and a lactam.
Molecule SMILES: CC(C)CC1OC(=O)CCNC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)C)N(C)C(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C1=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: Isaridin A is a natural product found in Beauveria felina and Isaria with data available.
Molecule SMILES: C=C1CCCC2(C)CCC(C(C)C)C=C12

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: (3S,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene is a natural product found in Abies alba, Pinus sibirica, and Abies sibirica with data available.
Molecule SMILES: COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3C2CN1C

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: (1S,9S)-4,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-3-ol is a natural product found in Thalictrum minus with data available.
Molecule SMILES: COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)C1CC(OC(=O)c2ccc(C(C)(O)CCCC(C)(C)O)c(O)c2)OC1O4

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: Aspertenol B is a natural product found in Aspergillus tennesseensis with data available.
Molecule SMILES: O=C(O)COc1cc(OCC(=O)O)c2c(=O)cc(-c3ccccc3)oc2c1

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: Flavodic acid is a member of flavones.
Molecule SMILES: C=C(CCC(C(=O)O)C1C(O)CC2(C)C3=C(CCC12C)C(C)(CCC(=O)O)C(C(=C)C)C=C3)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid is a natural product found in Phellodendron amurense and Wolfiporia cocos with data available.
Molecule SMILES: C=CCc1ccc(OC(C)=O)c(OC(C)=O)c1

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: 4-Allyl-1,2-diacetoxybenzene is a member of phenols and a benzoate ester.
Molecule SMILES: CCCNC(=O)N(C)CC1Oc2cc(C3=CCCCC3)ccc2S(=O)(=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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: 1-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea is an aromatic ether.
Molecule SMILES: CC(=O)NC1C(OCC2OC(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(O)C3NC(C)=O)C(O)C(O)C2O)OC(CO)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC6(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O6)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C3O)C(O)C2NC(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is a polysaccharide.
Molecule SMILES: COc1cc2c(cc1O)C(Cc1ccc(OC)c(Oc3ccc(C=O)cc3)c1)N(C)CC2

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: Pecrassipine A is a natural product found in Phaeanthus splendens with data available.
Molecule SMILES: Cc1cc(-c2n[nH]c(=S)n2-c2ccccc2)nn1C

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: 3-(1,5-dimethyl-3-pyrazolyl)-4-phenyl-1H-1,2,4-triazole-5-thione is a member of triazoles.
Molecule SMILES: CC(C)=CCc1ccc2c(C3(O)C(=O)C(=O)C(c4c[nH]c5ccc(CC=C(C)C)cc45)=C(O)C3=O)c[nH]c2c1

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: Chaetoglobinol B is a natural product found in Chaetomium elatum with data available.
Molecule SMILES: CC=C(C)C(=O)OC1CCC2Cc3occ(C)c3C3OCC1C23C

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: [(1R,8R,11S,12S,15S)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.02,6.012,15]pentadeca-2(6),3-dien-11-yl] (Z)-2-methylbut-2-enoate is a natural product found in Syneilesis palmata and Hertia pallens with data available.
Molecule SMILES: COc1cc(C(=O)OC2C(C)OC(OC3C(O)C(OCCc4ccc(O)c(O)c4)OC(CO)C3OC(=O)C=Cc3ccc(O)c(O)c3)C(O)C2O)cc(OC)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: [(2S,3R,4S,5R,6S)-6-[(2R,3R,4R,5R,6R)-2-[2-(3,4-dihydroxyphenyl)ethoxy]-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] 4-hydroxy-3,5-dimethoxybenzoate is a natural product found in Acanthus montanus with data available.
Molecule SMILES: CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CCC(C)(C)CC85)C(O)CC67C)C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Buddlejasaponin I is a natural product found in Scrophularia scorodonia, Verbascum densiflorum, and other organisms with data available.
Molecule SMILES: C[n+]1ccccc1C1CCCCC1=NNc1ccc([N+](=O)[O-])cc1[N+](=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: N-[[2-(1-methyl-2-pyridin-1-iumyl)cyclohexylidene]amino]-2,4-dinitroaniline is a C-nitro compound.
Molecule SMILES: Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(COC(=O)CCC(=O)O)c(O)c(C(=O)O)c(C)c1O2

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: Succinprotocetraric acid is a carbonyl compound.
Molecule SMILES: O=C([O-])C(=O)C(O)C(O)C(O)COP(=O)(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: 6-phospho-2-dehydro-D-gluconate(1-) is a ketoaldonic acid phosphate. It is a conjugate base of a 6-phospho-2-dehydro-D-gluconic acid. It is a conjugate acid of a 6-phospho-2-dehydro-D-gluconate(3-).
Molecule SMILES: CC(C)(N)C(=O)NC(COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CS(=O)(=O)O

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: Ibutamoren Mesylate is the mesylate salt form of ibutamoren, an orally bioavailable, small molecule, non-peptide growth hormone secretagogue (GHS). Upon administration, ibutamoren promotes the release of growth hormone (GH) from the pituitary gland, thereby increasing plasma GH levels. This may counteract GH deficiency. GH plays an important role in many biological processes.
Molecule SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(OS(=O)(=O)O)C12C

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: N-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfoxy)cholan-24-yl]-Glycine is a bile acid glycine conjugate.
Molecule SMILES: CCc1cc(C)c(O)c(OC)c1

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: 4-Ethyl-2-methoxy-6-methylphenol is a natural product found in Thymus quinquecostatus with data available.
Molecule SMILES: O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21

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: (2R)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one is a natural product found in Ficus formosana, Artocarpus lacucha, and other organisms with data available.
Molecule SMILES: COc1c(O)c(C)c2c(c1OC)OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=C2

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: (2R)-2beta,5-Dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyl-3,7,11,15,19,23,27,31-tritriacontaoctaene-1-yl]-7,8-dimethoxy-2H-1-benzopyran-6-ol is a natural product found in Dioscorea alata with data available.
Molecule SMILES: COc1ccc2cc(NC(=O)C3(N)CC4(O)C(C=CC(O)C4O)O3)c(=O)oc2c1OC

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: Aspergillazine D is a natural product found in Aspergillus unilateralis with data available.
Molecule SMILES: CNCCC=C1c2ccccc2COc2ccccc21

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: (E)-desmethyldoxepin is the (E)-isomer of desmethyldoxepin.
Molecule SMILES: CCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)N(C)C1

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: (2R,4R)-4-ethyl-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methylpyrrolidine-2-carboxamide is a natural product found in Streptomyces lincolnensis with data available.
Molecule SMILES: CCOCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)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: Chethoxyrol is a natural product found in Tenualosa ilisha with data available.
Molecule SMILES: [NH3+]C(C(=O)NC1CN(C(C(=O)[O-])c2ccc(O)cc2)C1=O)c1ccc(O)cc1

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: Nocardicin G zwitterion is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of nocardicin G; major species at pH 7.3. It is a tautomer of a nocardicin G.
Molecule SMILES: CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C

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: Methyl selenac is a thiocarbonyl compound.
Molecule SMILES: CN(C)C(=S)S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(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 description of this molecule <molecule_2d> .

assistant: Selenium dimethyldithiocarbamate is a chemical compound of selenium. Selenium is a nonmetal element with the atomic number 34 and the chemical symbol Se. Selenium rarely occurs in its elemental state in nature and is usually found in sulfide ores such as pyrite, partially replacing the sulfur in the ore matrix. It may also be found in silver, copper, lead, and nickel minerals. Though selenium salts are toxic in large amounts, trace amounts of the element are necessary for cellular function in most animals, forming the active center of the enzymes glutathione peroxidase, thioredoxin reductase, and three known deiodinase enzymes. (L620)
Molecule SMILES: CC(C1CCC2C3CCC4CC(N(C)Cc5ccccc5)CCC4(C)C3CCC21C)N(C)C

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: (3S,5S,8R,9S,10S,13S,14S,17S)-N-benzyl-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine is a natural product found in Sarcococca saligna with data available.
Molecule SMILES: C=C(C)C12OC3(c4ccccc4)OC1C1C4OC4(CO)C(O)C4(O)C(=O)C(C)=CC4C1(O3)C(C)C2OC(=O)C=CC=Cc1ccccc1

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: Crystals or white powder. (NTP, 1992)
Molecule SMILES: COc1ccc(NC(=O)N2CC3NC(C2)C3c2ccc(-c3ccncc3)cc2)cc1

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: (1R,5S)-N-(4-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide is a member of piperidines.
Molecule SMILES: Cn1cnc(S(=O)(=O)NC2C=CC(CC(=O)NCC3CC3)OC2CO)c1

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: N-(cyclopropylmethyl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide is a member of pyrans.
Molecule SMILES: CCC=CC(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> The above is a compound. Could you please tell me something about it?

assistant: Hexenone is a natural product found in Centella asiatica with data available.
Molecule SMILES: COCCCNc1nc(NC(C)C)nc(SC)n1

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: Methoprotryne is a member of 1,3,5-triazines.
Molecule SMILES: CCCCCCC1Cc2cc(O)c3c(C)c2C(O1)C1C(OC)C=C(COC(C)=O)C2CC(C)(C)C2(O)C(O)CC1(C)OOC3=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: [(1R,2R,3S,4E,6R,9S,10S,12S,21R)-21-hexyl-9,10,17-trihydroxy-3-methoxy-8,8,12,24-tetramethyl-15-oxo-13,14,22-trioxapentacyclo[14.6.2.02,12.06,9.019,23]tetracosa-4,16,18,23-tetraen-5-yl]methyl acetate is a natural product found in Cytospora with data available.
Molecule SMILES: CC1=C2C(=CC3C4(C)CCCC(C)(C)C4CCC34OC24)OC1=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: (1S,3R,10S,11R,16R)-5,11,15,15-tetramethyl-2,7-dioxapentacyclo[8.8.0.0^{1,3.0^{4,8.0^{11,16]octadeca-4,8-dien-6-one is a natural product found in Euphorbia sessiliflora and Euphorbia ebracteolata with data available.
Molecule SMILES: CC(=CC(=O)CC(C)C)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C

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: [(3S,5S,6S,8S,10S,13S,14S,17R)-6-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-[(E)-6-methyl-4-oxohept-2-en-2-yl]-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate is a natural product found in Astropecten monacanthus with data available.
Molecule SMILES: CCC=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)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: 24-Propylidenecholest-5-en-3beta-ol is a natural product found in Sarcophyton crassocaule with data available.
Molecule SMILES: CC(CC1=C(C=O)COC1O)C1=CCC(C)(C)C1

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: Lactardial is a natural product found in Lactarius chrysorrheus, Lactarius circellatus, and other organisms with data available.
Molecule SMILES: CC(C)=CCCC(C)C1CC=C2COC3C=C(C)C(C1O)C23

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: (4R,7S,8R,9S,12R)-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]-3-oxatricyclo[5.4.1.04,12]dodeca-1(11),5-dien-8-ol is a natural product found in Dictyota dichotoma with data available.
Molecule SMILES: CC(=O)NC(CO)C(O)C(OC1OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)C(O)C1NC(C)=O)C(O)CO

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-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CCN1CC2CCC(OC)C34C2CC(C13)C1(O)CC(OC)C2CC4C1C2O

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: (5S,6S,8S,10R,13R)-11-ethyl-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol is a natural product found in Aconitum napellus, Aconitum forrestii, and Aconitum contortum with data available.
Molecule SMILES: OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1

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: Oteseconazole is an azole metalloenzyme inhibitor that targets fungal CYP51. CYP51, also known as 14α demethylase, participates in the formation of ergosterol, a compound that plays a vital role in the integrity of cell membranes. By binding and inhibiting CYP51, oteseconazole is active against most microorganisms associated with recurrent vulvovaginal candidiasis (RVVC). Oteseconazole has demonstrated activity against Candida albicans, Candida glabrata, Candida krusei, Candida parapsilosis, Candida tropicalis,  Candida lusitaniae and Candida dubliniensis.  Unlike previous-generation azole antifungals, oteseconazole has a high selectivity for CYP51 and little interaction with human cytochrome P450s. This is possible thanks to the tetrazole moiety in oteseconazole that increases target selectivity. In contrast with oteseconazole, other antifungals with imidazole or triazole moieties, such as [ketoconazole] or [fluconazole], have a high number of drug-drug interactions due to their interaction with human CYPs.   The use of oteseconazole is contraindicated in females of reproductive potential due to its embryo-fetal toxicity risks. This drug was approved by the FDA on April 26, 2022.