IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)OC1CC(C)=CC(O)CC(CO)C2CC(C)(C)C12O

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: Pestalotiphain E is a natural product found in Pestalotiopsis hainanensis with data available.
Molecule SMILES: CC(O)C=CC(O)C(CC(=O)O)Nc1ccc(C=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 brief overview of this molecule <molecule_2d> .

assistant: 3-(4-Formylanilino)-4,7-dihydroxyoct-5-enoic acid is a natural product found in Streptomyces viridochromogenes with data available.
Molecule SMILES: CCCCCC=CCC=CCC=CCC=CCC=CCCCCCCCCCC(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoate is a hydroxy fatty acid anion that is the conjugate base of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a 2-hydroxy fatty acid anion, a hydroxy polyunsaturated fatty acid anion and an ultra-long-chain fatty acid anion. It is a conjugate base of a (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoic acid.
Molecule SMILES: CCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (R)-2-hydroxyhexadecanoyl-CoA(4-) is a long-chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (R)-2-hydroxyhexadecanoyl-CoA; major species at pH 7.3. It is a conjugate base of a (R)-2-hydroxyhexadecanoyl-CoA.
Molecule SMILES: CCC(C)C1NC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CCCN2C(=O)C(C(C)CC)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: Phakellistatin 17 is a natural product found in Phakellia fusca with data available.
Molecule SMILES: CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4O)OC(COC3OC(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: [(2R,3R,4S,5R,6S)-4,5-dihydroxy-6-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,5S,6aS,6aR,6bS,8aR,9R,10R,11R,12aS,14bR)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate is a natural product found in Bellis perennis with data available.
Molecule SMILES: COc1ccc2cc1Oc1ccc(cc1)CC1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1C(C2)N(C=O)CC3

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: (-)-Thalrugosinone is a natural product found in Thalictrum lucidum, Dehaasia incrassata, and other organisms with data available.
Molecule SMILES: COC1=CC(=O)OC2(c3ccccc3)C1C(c1ccccc1)C2c1cc(OC)cc(=O)o1

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: (1R,6S,7S,8S)-5-methoxy-8-(4-methoxy-6-oxopyran-2-yl)-1,7-diphenyl-2-oxabicyclo[4.2.0]oct-4-en-3-one is a natural product found in Aniba firmula with data available.
Molecule SMILES: CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)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: Malonoben is an alkylbenzene. It has a role as a geroprotector.
Molecule SMILES: CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)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: Tyrphostin A9 is a member of the tyrphostin family of tyrosine kinase inhibitors that exhibits anti-proliferative activity by selectively inhibiting the platelet-derived growth factor receptor tyrosine kinase. It inhibits phosphorylation, uncouples oxidative phosphorylation and induces apoptosis and cell growth arrest in certain cancer cell lines. (NCI)
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cccc(N(C)C)c2OC1CN(C)C(=O)NC1CCCCC1

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: 3-cyclohexyl-1-[[(2R,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea is a dialkylarylamine and a tertiary amino compound.
Molecule SMILES: CC(C)=CCCC(C)(O)C(O)Cc1cc(C(=O)O)cc(CC=C(C)C)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: 3-[(2R,3R)-2,3-dihydroxy-3,7-dimethyloct-6-enyl]-4-hydroxy-5-(3-methylbut-2-enyl)benzoic acid is a natural product found in Myrsine coriacea with data available.
Molecule SMILES: COc1cc(O)c2c(c1C)C(C)(C(C)OC(C)=O)OC2=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: 1-(4-Hydroxy-6-methoxy-1,7-dimethyl-3-oxo-1,3-dihydroisobenzofuran-1-yl)ethyl acetate is a natural product found in Paraphoma with data available.
Molecule SMILES: CC(C)=CCC=C(C)C1=CCC(C)(O)C1CC1=C(O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (4R)-3,4-dihydroxy-2-[[(1S,5S)-5-hydroxy-5-methyl-2-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclopent-2-en-1-yl]methyl]cyclohex-2-en-1-one is a natural product found in Alternaria alternata with data available.
Molecule SMILES: CC(=CCOc1c2occc2cc2ccc(=O)oc12)CC=CC(C)(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: 9-((7-Hydroxy-3,7-dimethylocta-2,5-dien-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one is a natural product found in Tetradium daniellii and Glehnia littoralis with data available.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OCC(C)N(C(=O)c2ccc3c(c2)OCO3)CC1C

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-[(5S,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide is an azamacrocycle and a lactam.
Molecule SMILES: COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=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: Isoderricin A is a member of flavanones.
Molecule SMILES: COc1ccc2c(c1CC=C(C)C)OC(c1ccccc1)CC2=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: Isoderricin A is a natural product found in Dahlstedtia pentaphylla and Pongamia pinnata with data available.
Molecule SMILES: CC(C)C#Cc1ccc2c(c1)OC(CN(C)C(=O)Nc1ccccc1)C(C)CN(C(C)CO)S2(=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: 1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea is a member of ureas.
Molecule SMILES: CC1(C)CCCC2(C)c3c(c(O)c(CO)c4c3C(O)OC4=O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (1S,7aS,11aS)-1,5-dihydroxy-4-(hydroxymethyl)-8,8,11a-trimethyl-1,7,7a,9,10,11-hexahydronaphtho[1,2-e][2]benzofuran-3,6-dione is a natural product found in Betonica officinalis with data available.
Molecule SMILES: COc1cc(C=NNC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1

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: FPR A14 is a hydrazone obtained by formal condensation of the carboxy group of 1,3-benzodioxolane-5-carboxylic acid with the hydrazino group of 4'-benzyloxy-3'-methoxybenzylidene hydrazide. It has a role as a formyl peptide receptor agonist. It is a member of benzodioxoles, a monomethoxybenzene, a benzyl ether and a hydrazone.
Molecule SMILES: CCCCCN(C)N=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-methyl-N-pentylnitrosamine is a nitrosamine that has methyl and pentyl substituents. It is a potent oesophageal carcinogen. It has a role as a carcinogenic agent.
Molecule SMILES: CC(=O)OCC(CO)OC(C)=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: Glycerol 1,2-diacetate is a 1,2-diglyceride.
Molecule SMILES: CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)C(O)CC(O)C(C)(C)C4CCC23C)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: Polacandrin is a triterpenoid saponin. It has a role as a metabolite.
Molecule SMILES: CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)C(O)CC(O)C(C)(C)C4CCC23C)O1

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: Polacandrin is a natural product found in Polanisia dodecandra with data available.
Molecule SMILES: C=C(C)C1CCC2(C)C(O)CC(O)C(=C)C2(O)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: Leitneridanin A is a natural product found in Leitneria floridana with data available.
Molecule SMILES: CNCC1OCCCCC(C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)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: Please give me some details about this molecule <molecule_2d> .

assistant: 1-(1,3-benzodioxol-5-yl)-3-[(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]urea is an azamacrocycle and a lactam.
Molecule SMILES: C=C1CC(OC(=O)c2ccccc2)C2C(C)(CO)CCCC2(C)C1CCC(C)=CCO

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: [8-(hydroxymethyl)-4-(5-hydroxy-3-methylpent-3-enyl)-4a,8-dimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] benzoate is a natural product found in Scoparia dulcis with data available.
Molecule SMILES: C=C(C)C(O)C(O)CC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(OC2OC(CO)C(O)C(O)C2O)C13C

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: [(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate is a natural product found in Epicharis cumingiana with data available.
Molecule SMILES: [F-].[F-].[Zn+2]

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: Zinc fluoride appears as a white powder or crystalline mass. Density 4.84 g / cm3. Slightly soluble in water and denser than water. Also insoluble as a hydrate. ZnF2.xH2O. Used for galvanizing steel and making ceramics.
Molecule SMILES: CC=Cc1cc2c(c(=O)o1)C(O)C(O)C(C)O2

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: 3,4-dihydroxy-2-methyl-7-prop-1-enyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is a natural product found in Alternaria radicina with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2NC(C)=O)C(O)C1OC1OC(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: N-[(2S,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: O=C1c2ccc(O)c(O)c2OCC1c1ccc(O)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: 8-Hydroxydihydrodaidzein is a member of isoflavanones.
Molecule SMILES: COc1cc(O)c2c(=O)cc(-c3ccc(OC4OC(C)C(O)C(O)C4O)c(O)c3)oc2c1

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: 5-hydroxy-2-[3-hydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-7-methoxychromen-4-one is a natural product found in Atraphaxis pyrifolia with data available.
Molecule SMILES: CCCCSc1ccc(C(SCCN(C)C)c2ccccc2)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 brief overview of this molecule <molecule_2d> .

assistant: Captodiame, also known as captodiamine, is an antihistamine which is used as a sedative and anxiolytic. It is a derivative of diphenhydramine. Captodiame has been suggested for use in preventing benzodiazepine withdrawal syndrome.
Molecule SMILES: CCC(C)C(=O)Oc1c(OC)c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc12

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: Pratensin B is an ether and a member of flavonoids.
Molecule SMILES: CCC(C)C(=O)Oc1c(OC)c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)cc3)oc12

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: Pratensin B is a natural product found in Galeana pratensis with data available.
Molecule SMILES: COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: 1-[2-Hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one is a natural product found in Cullen corylifolium and Sophora prostrata with data available.
Molecule SMILES: COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(OC(C)=O)C(O)C5OC(C)=O)C(O)C(OC(C)=O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3o2)cc1

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: [5-Acetyloxy-6-[[4-acetyloxy-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-methyloxan-3-yl] acetate is a natural product found in Coptis japonica with data available.
Molecule SMILES: CN1C(=O)C(O)CC1c1cccnc1

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: 3-hydroxycotinine is a member of pyridines and a member of pyrrolidines.
Molecule SMILES: CN1C(=O)C(O)CC1c1cccnc1

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: 3-Hydroxycotinine is a metabolite of nicotine that is detectable in the urine of smokers.
Molecule SMILES: Cc1coc2c1CC1(C)C(C)CCC(=O)C1C2

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: 4,4a,5,6,8aalpha,9-Hexahydro-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-8(7H)-one is a natural product found in Smyrnium olusatrum with data available.
Molecule SMILES: Cc1cc(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2o1

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: 5-hydroxy-2-methyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Eucalyptus tereticornis with data available.
Molecule SMILES: C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(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: 5,6-trans-25-hydroxyvitamin D3 is a vitamin D.
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Docetaxel is an antineoplastic agent that has a unique mechanism of action as an inhibitor of cellular mitosis and that currently plays a central role in the therapy of many solid tumors including breast and lung cancer. Docetaxel therapy is frequently associated with serum enzyme elevations which are usually transient and mild, but more importantly has been linked to rapid onset, severe hypersensitivity reactions that can be associated with acute hepatic necrosis, liver failure and death.
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Docetaxel anhydrous is a tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group. It has a role as an antineoplastic agent, a photosensitizing agent and an antimalarial. It is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It derives from a hydride of a taxane.
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: Docetaxel is a clinically well established anti-mitotic chemotherapy medication used mainly for the treatment of breast, ovarian, and non-small cell lung cancer. Docetaxel reversibly binds to tubulin with high affinity in a 1:1 stoichiometric ratio
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Docetaxel anhydrous is a Microtubule Inhibitor. The physiologic effect of docetaxel anhydrous is by means of Microtubule Inhibition.
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: Describe this molecule: <molecule_2d> .

assistant: Docetaxel Anhydrous is the anhydrous form of docetaxel, a semisynthetic side-chain analogue of paclitaxel with antineoplastic property. Docetaxel binds specifically to the beta-tubulin subunit of microtubules and thereby antagonizes the disassembly of the microtubule proteins. This results in the persistence of aberrant microtubule structures and results in cell-cycle arrest and subsequent cell death.
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Docetaxel is a natural product found in Penicillium ubiquetum with data available.
Molecule SMILES: CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Docetaxel is a clinically well established anti-mitotic chemotherapy medication used mainly for the treatment of breast, ovarian, and non-small cell lung cancer. Docetaxel binds to microtubules reversibly with high affinity and has a maximum stoichiometry of one mole docetaxel per mole tubulin in microtubules.