IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(C=CC(Cl)C(C)(Cl)C=CBr)=CBr

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: (1Z,3E,5S,6R,7E)-1,8-dibromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene is a natural product found in Plocamium cartilagineum and Plocamium suhrii with data available.
Molecule SMILES: CN(C)CCC[Si](C)(C)[O-].[OH-].[Si+4].c1ccc2c(c1)-c1cc3nc(nc4[n-]c(nc5[n-]c(nc-2n1)c1ccccc51)c1ccccc41)-c1ccccc1-3

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: Silicon Phthalocyanine 4 is a synthetic photosensitizer agent containing a large macrocyclic ring chelated with silicon. Silicon phthalocyanine 4 localizes primarily in mitochondrial cytosolic membranes and, after photoexcitation, forms reactive oxygen species that induce apoptosis.
Molecule SMILES: COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(OC5CC(OC6CC(O)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC4(CC(C)C(C=O)=CC4C=C2C)C3=O)CC1(C)[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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: methyl N-[6-[[4-formyl-23-hydroxy-17-[5-hydroxy-4-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,8,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate is a natural product found in Streptomyces albidoflavus with data available.
Molecule SMILES: C=C1C(=O)OC2CC(C)=CCCC(C)=CCCC3(COC(C)=O)OC3CC12

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: Lobolide is a natural product found in Lobophytum crassum with data available.
Molecule SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

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: Cypermethrin is a carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile. It has a role as a pyrethroid ester insecticide, a pyrethroid ester acaricide, an agrochemical and a molluscicide. It is an organochlorine compound, a nitrile, an aromatic ether and a cyclopropanecarboxylate ester. It is functionally related to a 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid.
Molecule SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)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: Cypermethrin is a synthetic pyrethroid primarily used as an insecticide. It acts as a fast-acting neurotoxin in insects. It is easily degraded on soil and plants but can be effective for weeks when applied to indoor inert surfaces. Exposure to sunlight, water and oxygen will accelerate its decomposition. It is a synthetic pyrethroid. Cypermethrin is highly toxic to fish, bees and aquatic insects, according to the National Pesticides Telecommunications Network (NPTN). Cypermethrin is found in many household ant and cockroach killers, including Raid and ant chalk.  Some subsets of isomers of this substance are alpha-cypermethrin, beta-cypermethrin, theta-cypermethrin and zeta-cypermethrin. A pyrethroid is a synthetic chemical compound similar to the natural chemical pyrethrins produced by the flowers of pyrethrums (Chrysanthemum cinerariaefolium and C. coccineum). Pyrethroids are common in commercial products such as household insecticides and insect repellents. In the concentrations used in such products, they are generally harmless to human beings but can harm sensitive individuals. They are usually broken apart by sunlight and the atmosphere in one or two days, and do not significantly affect groundwater quality except for being toxic to fish. (L811, L871, L872)
Molecule SMILES: CC=C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(NC(=O)C(NC(=O)C(O)C(CCCCCCCCCCCCC)OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C2O)C(C)O)C(C)OC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)OC2OC(COC(C)=O)C(OC(C)=O)C(O)C2O)N(C)C(=O)CNC(=O)C(CCC(N)=O)NC1=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: [(2S,3R,4S,5R,6R)-6-[1-[(3S,12R,15Z,18R,21S,24S,25R)-24-[[2-[[3-[(2S,3S,4R,5R)-4-[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2-hydroxyhexadecanoyl]amino]-3-hydroxybutanoyl]amino]-12-(3-amino-3-oxopropyl)-15-ethylidene-21-[(1S)-1-hydroxyethyl]-3,18-bis[(4-hydroxyphenyl)methyl]-7,25-dimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-6-yl]ethoxy]-3-acetyloxy-4,5-dihydroxyoxan-2-yl]methyl acetate is a natural product found in Romanoa with data available.
Molecule SMILES: NC(=O)C1CC2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1

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: (8R)-7-[(2-benzoylphenyl)-oxomethyl]-3-[3-[(1-oxo-3,3-diphenylpropyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide is a member of benzophenones.
Molecule SMILES: C=CCC1=CC2(OC)C(=O)C(OC)(OC)C1CC2Cc1cc(OC)c(OC)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 1,3,3-Trimethoxy-5-prop-2-enyl-7-[(3,4,5-trimethoxyphenyl)methyl]bicyclo[2.2.2]oct-5-en-2-one is a natural product found in Asarum fauriei var. takaoi with data available.
Molecule SMILES: COc1cc(CC(C)C(C)Cc2cc(OC)c(OC(C)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O

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: (+)-(7''S,8S,8'R,8''R)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol is a neolignan isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a neolignan, a member of phenols and a dimethoxybenzene.
Molecule SMILES: COc1cc(CC(C)C(C)Cc2cc(OC)c(OC(C)C(O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O

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: (+)-(7''S,8S,8'R,8''R)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol is a natural product found in Machilus robusta with data available.
Molecule SMILES: CC1CCC2N(C1)CC1C3CC4C(CC=C5CC(O)CCC54C)C3CC(O)C1C2(C)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: (1R,2S,6S,9S,10S,11R,12S,14S,15S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-17-ene-10,12,20-triol is a natural product found in Veratrum dahuricum and Veratrum maackii with data available.
Molecule SMILES: CC(C)c1cc2c(cc1O)C1(C)CCC(OC(=O)c3ccccc3)C(C)(C)C1CC2

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: 3-O-Benzoylhinokiol is a natural product found in Hoslundia opposita with data available.
Molecule SMILES: COc1ccc(C(=O)OCC=C(C)CC(=O)C=C(C)C)cc1OC

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: Tomentellin is a natural product found in Trichocolea pluma with data available.
Molecule SMILES: C=CC12CN(C)C3C4COC(CC41)C1(C(=O)Nc4ccccc41)C32

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: (1'R,2'S,3S,5'R,6'S,8'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one is a natural product found in Gelsemium sempervirens with data available.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=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: <molecule_2d> What do you know about the molecule?

assistant: N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: C=C1CCC=C(C=O)CCC2C1CC2(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: (1R,4E,9S)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene-4-carbaldehyde is a natural product found in Betula pendula with data available.
Molecule SMILES: CC(C)=CCCC(C)C1CCC(C)(O)C12CC1=C(O2)C(O)CCC1=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: (1'S,2S,3'S,7R)-1',7-dihydroxy-1'-methyl-3'-[(2S)-6-methylhept-5-en-2-yl]spiro[3,5,6,7-tetrahydro-1-benzofuran-2,2'-cyclopentane]-4-one is a natural product found in Alternaria with data available.
Molecule SMILES: CC(=O)N1CCN(C2CCN(C(=O)N(C)C(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(c3ccc(F)cc3C)C2)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: Casopitant is a centrally-acting neurokinin 1 (NK1) receptor antagonist with antidepressant and antiemetic activities. Casopitant competitively binds to and blocks the activity of the NK-receptor, thereby inhibiting NK1-receptor binding of the endogenous tachykinin neuropeptide substance P (SP), which may result in antiemetic effects. SP is found in neurons of vagal afferent fibers innervating the brain-stem nucleus tractus solitarii and the area postrema, which contains the chemoreceptor trigger zone (CTZ), and may be elevated in response to chemotherapy. The NK-receptor is a G-protein receptor coupled to the inositol phosphate signal-transduction pathway and is found in both the nucleus tractus solitarii and the area postrema.
Molecule SMILES: Oc1ccccc1C=NNc1ccnc(SCc2ccccc2)n1

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: 6-[[[2-(phenylmethylthio)-4-pyrimidinyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone is a member of quinomethanes.
Molecule SMILES: OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(CO)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Beta-D-Galp-(1->2)-beta-D-Glcp-(1->6)-beta-D-Glcp is a trisaccharide consisting of a beta-D-galactopyranose residue and two beta-D-glucopyranose residues joined in sequence by (1->2) and (1->6) glycosidic bonds. It is functionally related to a beta-D-Glcp-(1->6)-beta-D-Glcp.
Molecule SMILES: O=P(O)(O)OCC1CCC(O)O1

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: 2,3-dideoxy-beta-D-ribose 5-phosphate is a 2,3-dideoxyribose phosphate that is the 2,3-dideoxy analogue of beta-D-ribofuranose 5-phosphate. It has a role as a Mycoplasma genitalium metabolite.
Molecule SMILES: O=C1C(=Cc2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc21

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: 2-[(3,4-dihydroxyphenyl)methylidene]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one is a natural product found in Butea monosperma with data available.
Molecule SMILES: O=C1CC(c2ccccc2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1

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: (10S)-5-hydroxy-2-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is a natural product found in Pityrogramma calomelanos and Pityrogramma ebenea with data available.
Molecule SMILES: CC1=CCCC2C1(C)CC1OC(=O)C2(CCc2ccoc2)C1C

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: Ptychonolide is a natural product found in Ptychopetalum olacoides with data available.
Molecule SMILES: COC1C(O)C(OC2CCC3(C=O)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)CCC43O)C2)OC(C)C1OC1OC(COC2OC(CO)C(O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 14-Hydroxy-19-oxo-5beta-card-20(22)-enolid-3beta-yl 4-O-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-3-O-methyl-6-deoxy-alpha-L-mannopyranoside is a natural product found in Thevetia peruviana and Thevetia neriifolia with data available.
Molecule SMILES: CCCCCCCCC(C)C1CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(Cc2ccccc2)C(=O)O1

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: (3S,6S,9R,12S,19S)-3-benzyl-19-decan-2-yl-6-methyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone is a natural product found in Scopulariopsis brevicaulis with data available.
Molecule SMILES: CC1(C)OC2OC(=O)C=CC23C1CC(=O)C1(C)C3CCC2(C)C(c3ccoc3)OC(=O)C3OC321

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: Jangomolide is a steroid lactone.
Molecule SMILES: CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C1(C)OC1OCC(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: 2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-2-(hydroxymethyl)-6-[[2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-16-(3,4,5-trihydroxyoxan-2-yl)oxy-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Bacopa monnieri with data available.
Molecule SMILES: CC1(C)CC2(CO)CC3C1C2CCCC3(O)CO

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: Akotriol is a natural product found in Xylaria cubensis with data available.
Molecule SMILES: Oc1ccc2sc3ccccc3c2c1O

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: 1,2-dihydroxydibenzothiophene is dibenzothiophene substituted at positions 1 and 2 by hydroxy groups. It derives from a hydride of a dibenzothiophene.
Molecule SMILES: NN=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: Nitrosamine is any of a class of organic compounds with the general formula R2NNO or RNHNO, present in various foods and other products and found to be carcinogenic in laboratory animals. (dictionary.com)
Molecule SMILES: NN=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: Nitrosamine is a natural product found in Nicotiana tabacum with data available.
Molecule SMILES: CCCCCCC1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C

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: cyclo[Abu-Sar-N(Me)Leu-Val-N(Me)Leu-Ala-D-Ala-D-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Nle(Et)] is a natural product found in Tolypocladium inflatum with data available.
Molecule SMILES: O=C(Nc1ccccc1)c1cccc(Cl)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: 3-Chlorosalicylanilide is a member of benzamides.
Molecule SMILES: COc1cc(CC(CO)C(COC2OCC(O)C(O)C2O)Cc2cc(OC)c(O)c(OC)c2)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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (2R,3R,4S,5R)-2-[(2R,3R)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]oxane-3,4,5-triol is a natural product found in Machilus thunbergii, Prunus ssiori, and other organisms with data available.
Molecule SMILES: O=C(Cc1cccnc1)N1CC(=O)N2C(CO)C(c3ccc(C#CC4CCCCC4)cc3)C2C1

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: (6R,7R,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-4-[1-oxo-2-(3-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one is a member of azetidines, a ring assembly and a member of benzenes.
Molecule SMILES: CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(OC(C)=O)(C5C6OC(=O)c5ccc(OC)c(OC)c5)C(C(OC)C23)C14

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: [(1S,2S,3S,4R,5R,6R,8S,9R,10R,13R,14S,16R,17S,18S)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate is a natural product found in Aconitum ferox with data available.
Molecule SMILES: CC(C)CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C(=O)[O-])C1CC3

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: 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylate is a steroid acid anion that is the conjugate base of 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a 3beta-hydroxy-4beta-methyl-5alpha-cholest-8-ene-4alpha-carboxylic acid.
Molecule SMILES: C=CC1(C)Cc2occc2C(=O)C1C(=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: (5S,6S)-6-ethenyl-6-methyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one is a natural product found in Commiphora erythraea and Commiphora kataf with data available.
Molecule SMILES: C=C(C)C(CCC(C)=CCOc1c(OC)cc(C=CCO)cc1OC)OCC

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: (E)-3-[4-[(2Z,6S)-6-ethoxy-3,7-dimethylocta-2,7-dienoxy]-3,5-dimethoxyphenyl]prop-2-en-1-ol is a natural product found in Ligularia nelumbifolia with data available.
Molecule SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Tauroursodeoxycholic acid is a bile acid taurine conjugate derived from ursoodeoxycholic acid. It has a role as a human metabolite, an anti-inflammatory agent, a neuroprotective agent, an apoptosis inhibitor, a cardioprotective agent and a bone density conservation agent. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a tauroursodeoxycholate.
Molecule SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Tauroursodeoxycholic acid, also known as ursodoxicoltaurine, is a highly hydrophilic tertiary bile acid that is produced in humans at a low concentration. It is a taurine conjugate of [ursodeoxycholic acid] with comparable therapeutic efficacy and safety, but a much higher hydrophilicity. Normally, hydrophilic bile acids regulates hydrophobic bile acids and their cytotoxic effects. Tauroursodeoxycholic acid can reduce the absorption of cholesterol in the small intestine, thereby reducing the body's intake of dietary cholesterol and the body cholesterol content.  Tauroursodeoxycholic acid is currently used in Europe to treat and prevent gallstones as a bile acid derivative. Due to a range of its molecular properties - namely its anti-apoptotic effects - tauroursodeoxycholic acid has been examined in inflammatory metabolic diseases and neurodegenerative diseases.
Molecule SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Tauroursodeoxycholic acid is a natural product found in Homo sapiens with data available.
Molecule SMILES: CC(NC(=O)C=Cc1ccc(O)cc1)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> The above is a compound. Could you please tell me something about it?

assistant: p-Coumaroyl-d-alanine is a natural product found in Ephedra distachya with data available.