IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COC(=O)C1(O)c2c(oc3cccc(O)c3c2=O)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 provide a description of this molecule <molecule_2d> ?

assistant: Globosuxanthone B is a member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum. It has a role as a Chaetomium metabolite. It is a member of phenols, an ether, a member of xanthones and a methyl ester.
Molecule SMILES: COC(=O)C1(O)c2c(oc3cccc(O)c3c2=O)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: Please give me some details about this molecule <molecule_2d> .

assistant: globosuxanthone B is a natural product found in Chaetomium globosum with data available.
Molecule SMILES: CC(C)=CCCC(C=O)=CCCC(C)=CCCC(C)=CCC1=CC(=O)C=C(C)C1=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 provide a description of this molecule <molecule_2d> ?

assistant: 6-Methyl-2-[11-formyl-3,7,15-trimethyl-2,6,10,14-hexadecatetraene-1-yl]-2,5-cyclohexadiene-1,4-dione is a natural product found in Sargassum incisifolium with data available.
Molecule SMILES: CC(=CC(=O)OCCCCCCCCC(=O)O)CC1OCC(CC=CC(C)C(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: Pseudomonic acid C is a natural product found in Pseudomonas fluorescens with data available.
Molecule SMILES: COc1cc(CC2COC(=O)C2(O)Cc2ccc(O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 3-Hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one is a natural product found in Daphne oleoides, Daphne acutiloba, and Daphne feddei with data available.
Molecule SMILES: CC1(C)OC1Cc1c(O)cc(CCc2ccccc2)cc1O

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-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5-(2-phenylethyl)benzene-1,3-diol is a natural product found in Radula complanata with data available.
Molecule SMILES: COc1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)c(O)c2)oc2cc(O)cc(O)c2c1=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: 5,7-Dihydroxy-2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one is a natural product found in Eriosyce with data available.
Molecule SMILES: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C21C=C(C(O)c2ccc(O)cc2)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 13R-epi-Epoxygaertneroside is a natural product found in Pentas lanceolata and Morinda morindoides with data available.
Molecule SMILES: C=C1CCC2C(C)(CCC3C(C)(C)C(OC(C)=O)CCC32C)C1Cc1c(O)cc(C)oc1=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 description of this molecule <molecule_2d> .

assistant: [(2R,4aS,4bR,8S,8aR,10aS)-8-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate is a natural product found in Penicilliopsis zonata with data available.
Molecule SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=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 provide a description of this molecule <molecule_2d> ?

assistant: 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine(1-) is an anionic phospholipid that is the conjugate base of 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine, obtained by deprotonation of the free carboxy group; major species at pH 7.3. It is a monocarboxylic acid anion, an anionic phospholipid and an oxidized glycerophosphocholine zwitterion. It is a conjugate base of a 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine.
Molecule SMILES: C=CC1(C)CCC2C(=CC3OC(=O)C4(C)C(=O)CCC2(C)C34)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: 3-Oxo-7,15-pimaradien-19,6-olide is a natural product found in Oryza with data available.
Molecule SMILES: COc1cc(C2Oc3c(O)cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)cc3C2CO)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: (2R,3S)-3,5,7-trihydroxy-2-[(2S,3R)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-2,3-dihydrochromen-4-one is a natural product found in Anastatica hierochuntica with data available.
Molecule SMILES: CC(=CCC(OC1OC(CO)C(O)C(O)C1O)C(C)=CCCC1(C)C(CCCOC2OC(CO)C(O)C(O)C2O)C(=C(C)C=O)CCC1(C)O)CCC(=O)C(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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (2Z)-2-[(2S,3R,4S)-4-hydroxy-3-[(3E,5R,7E)-12-hydroxy-4,8,12-trimethyl-11-oxo-5-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-3,7-dienyl]-3,4-dimethyl-2-[3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]cyclohexylidene]propanal is a natural product found in Iris spuria with data available.
Molecule SMILES: CC(=O)OC1CC2C(OC(C)=O)C=C3CC(C)(C(=O)C(O)C(=C1C)C2(C)C)C(OC(C)=O)CC3OC(=O)CC(c1ccccc1)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> What do you know about the molecule?

assistant: (2,7,13-Triacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl) 3-(dimethylamino)-3-phenylpropanoate is a natural product found in Taxus cuspidata with data available.
Molecule SMILES: COC12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4OC34C(C1)C(C)(CO)OC4(CC=C(C)C)C2=O)C(C)(C)C(C)O5

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: Scortechinone-Q is a natural product found in Garcinia scortechinii and Garcinia acuminata with data available.
Molecule SMILES: CC1=CCC(OC2OC(CO)C(O)C(O)C2O)C(C)=CC2OC(=O)C(C)C2CC1

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: Sonchuside A is a natural product found in Cichorium endivia, Cichorium intybus, and other organisms with data available.
Molecule SMILES: COc1cc(O)c(OC)c2c1C(=O)CC(c1ccccc1O)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 description of this molecule <molecule_2d> .

assistant: 2',7-Dihydroxy-5,8-dimethoxyflavanone is a natural product found in Scutellaria barbata with data available.
Molecule SMILES: COC(=O)C1=CCCC2C1(C)CCC(C)C21CC(c2ccoc2)OC1=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: methyl (4aS,5R,5'S,6S,8aS)-5'-(furan-3-yl)-6,8a-dimethyl-2'-oxospiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylate is a natural product found in Croton sonderianus with data available.
Molecule SMILES: CC(CCC(O)C(O)C(O)CN)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

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,3R,4R,7S)-7-[(3R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4-triol is a natural product found in Nitrosomonas europaea with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2OC2OC(C)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 description of this molecule <molecule_2d> .

assistant: N-[(2R,3R,4R,5R,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CC(=O)NC1C(OC2C(O)C(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)OC(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)C(O)C4NC(C)=O)OC(O)C3NC(C)=O)C2O)OC(CO)C(OC2OC(COC3OC(CO)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(O)C3NC(C)=O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C3NC(C)=O)C2O)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: CID 71298520 is a polysaccharide.
Molecule SMILES: CCC(C)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C)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: Hypelcin A-VIII is a natural product found in Trichoderma peltatum with data available.
Molecule SMILES: CSCCC(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(N)Cc1ccccc1)C(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 description of this molecule <molecule_2d> .

assistant: Electrin 3 is a natural product found in Litoria electrica with data available.
Molecule SMILES: O=C1CC(c2ccc(O)cc2)Oc2c1c(O)cc(O)c2C1OC(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Flavanone, 8-beta-D-glucopyranosyl-4',5,7-trihydroxy-, (S)-(8CI); (2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one is a natural product found in Eucalyptus moluccana with data available.
Molecule SMILES: CCOC1CC(c2ccc3c(c2)C(=O)CC(C)(O)C3)c2c(OC)cccc21

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: (3R)-7-[(1S,3R)-3-ethoxy-7-methoxy-2,3-dihydro-1H-inden-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one is a natural product found in Streptomyces with data available.
Molecule SMILES: CCc1c(O)cc(OC)c(C(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: Dehydromadisone is a natural product found in Lindgomyces madisonensis with data available.
Molecule SMILES: CCC1=C(CC(=O)OC)C(O)(c2nccc3c2[nH]c2ccccc23)OC1=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: Geissolaevine is a monoterpenoid indole alkaloid.
Molecule SMILES: [H]OC(=O)C(F)=C([H])[H]

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: Deuterio 3,3-dideuterio-2-fluoroprop-2-enoate is a carboxylic acid and an organohalogen compound.
Molecule SMILES: COC1CN(C)C(=O)c2ccc(NS(C)(=O)=O)cc2OCC(C)N(Cc2ccccc2)CC1C

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: N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)ccc1O

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: Isorhamnetin 3-rhamnoside is a natural product found in Arabidopsis thaliana with data available.
Molecule SMILES: CC(C)=CCC1OC1(C)C1CCC(C)(C#N)C2CCC(C)=CC21

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,4S,4aS,8aS)-1,6-dimethyl-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1-carbonitrile is a natural product found in Acanthella cavernosa with data available.
Molecule SMILES: C=C1C(=O)OC2CC(CO)=CCCC(CO)=CC(OC(=O)C(C)=CC)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: [(3aR,4S,5E,9E,11aS)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate is a natural product found in Richterago discoidea with data available.
Molecule SMILES: COc1c(O)ccc2oc(-c3cc(O)cc(O)c3)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 description of this molecule <molecule_2d> .

assistant: Gnetofuran C is a natural product found in Gnetum klossii with data available.
Molecule SMILES: CC1NC(=O)C(CC(C)(O)C2NC(C(C)C)C(=O)N2c2ccccc2)n2c1nc1ccccc1c2=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: Aniquinazoline B is a natural product found in Aspergillus nidulans with data available.
Molecule SMILES: Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)CNC(=O)c1ccccc1Cl

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-chloro-N-[2-[2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a secondary carboxamide.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2R,3S,4S,5R,6R)-4-[(2S,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-6-[[(2S,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]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: COc1cc(OC)c(-c2c(C)cc3cccc(OC)c3c2O)c2c1C(C)=NC(C)C2

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: Ancistrotanzanine A is an isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities. It has a role as a metabolite, an antiplasmodial drug, a trypanocidal drug and an antileishmanial agent. It is an isoquinoline alkaloid, a member of naphthols, a methoxynaphthalene, an aromatic ether, a member of methylnaphthalenes, a biaryl and a member of isoquinolines.
Molecule SMILES: COc1cc(OC)c(-c2c(C)cc3cccc(OC)c3c2O)c2c1C(C)=NC(C)C2

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: Ancistrotanzanine A is a natural product found in Ancistrocladus tanzaniensis with data available.
Molecule SMILES: Cc1c(O)ccc2c1CCc1c(C)c(O)cc(COC3OC(CO)C(O)C(O)C3O)c1-2

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: Effuside II is a natural product found in Juncus effusus with data available.
Molecule SMILES: CC(C=O)=CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(=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: <molecule_2d> What do you know about the molecule?

assistant: (E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal is a natural product found in Ganoderma concinnum, Ganoderma pfeifferi, and other organisms with data available.
Molecule SMILES: C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccc(F)c5sc(N)nc45)c(Cl)cc23)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: KRAS G12C Inhibitor LY3499446 is an orally available inhibitor of the oncogenic KRAS substitution mutation, G12C, with potential antineoplastic activity. Upon oral administration, LY3499446 targets and covalently binds to cytosine 12 within the switch II pocket of GDP-bound KRAS G12C, thereby inhibiting mutant KRAS-dependent signaling. KRAS, a member of the RAS family of oncogenes, serves an important role in cell signaling, division and differentiation. Mutations of KRAS may induce constitutive signal transduction leading to tumor cell growth, proliferation, invasion, and metastasis.
Molecule SMILES: CS(=O)CCCCN=C=S

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: Sulforaphane is an isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. It has a role as an antineoplastic agent, a plant metabolite, an antioxidant and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a sulfoxide and an isothiocyanate.
Molecule SMILES: CS(=O)CCCCN=C=S

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: Sulforaphane is a naturally-occurring phytochemical belonging to the class of isothiocyanates.  As the aglycone metabolite of glucosinolate glucoraphanin (sulforaphane glucosinolate), sulforaphane acts as an antioxidant and potent stimulator of endogenous detoxifying enzymes.  This agent displays anticarcinogenic properties due to its ability to induce phase II detoxification enzymes, such as glutathione S-transferase and quinone reductase, thereby providing protection against certain carcinogens and toxic, reactive oxygen species.  Broccoli sprouts contain large amounts of sulforaphane, which is also found in other cruciferous vegetables including cabbage and kale. (NCI04)
Molecule SMILES: CS(=O)CCCCN=C=S

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: Sulforaphane is a natural product found in Brassica oleracea var. sabauda, Arabidopsis thaliana, and other organisms with data available.
Molecule SMILES: CC(C)=CCC12CC(COC1=O)CC2O

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: Vibralactone D is a natural product found in Boreostereum vibrans with data available.
Molecule SMILES: C=C(C)C#CC12OC1C1OC(C)(C)C(OC(C)=O)CC13OC3C2=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: CID 21673189 is a natural product found in Beauveria felina with data available.
Molecule SMILES: CCOC(=O)c1ccc(NC(=O)CC2OCCN(CC)C2=O)cc1

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-[[2-(4-ethyl-3-oxo-2-morpholinyl)-1-oxoethyl]amino]benzoic acid ethyl ester is an amidobenzoic acid.
Molecule SMILES: COc1cc(O)c2c(c1)OC1(C)C(O)C(C)CC(O)C1C2=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: 1,4,8-trihydroxy-6-methoxy-3,4a-dimethyl-2,3,4,9a-tetrahydro-1H-xanthen-9-one is a natural product found in Monodictys putredinis with data available.
Molecule SMILES: Cc1ccnc2c1C(=O)c1ccc(O)cc1-2

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: 8-Hydroxyonychin is a natural product found in Miliusa horsfieldii with data available.
Molecule SMILES: CC=Cc1cc(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: Tell me something about this molecule: <molecule_2d>

assistant: 1,2,3-Trimethoxy-5-(1E)-1-propen-1-ylbenzene; (E)-Isoelemicin; 1,2,3-Trimethoxy-5-((E)-prop-1-enyl)benzene; 1,2,3-Trimethoxy-5-[(1E)-1-propenyl]benzene is a natural product found in Solidago odora, Virola surinamensis, and other organisms with data available.