IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CCC1(C)C(=O)C=C2C(=COC(C)=C2C)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: Leptosphaerone is a natural product found in Leptosphaeria with data available.
Molecule SMILES: CCC(C)c1c(OC2CC(OC3CC(O)C(O)C(C)O3)C(O)C(C)O2)cc2cc3c(c(O)c2c1O)C(=O)C(OC1CC(OC2CC(OC4CC(O)C(O)C(C)O4)C(OC(C)=O)C(C)O2)C(O)C(C)O1)C(C(OC)C(=O)C(O)C(C)O)C3

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: Durhamycin B is a natural product found in Actinoplanes durhamensis with data available.
Molecule SMILES: CC(=O)OC1CCC(C)C23OC(C)(C)C(CC(OC(=O)c4ccccc4)C12C)C3OC(=O)c1cccnc1

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: Triptogelin F-1 is a natural product found in Tripterygium wilfordii with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2cc(C3=CCCC3)cnc2OC1CN(C)C(=O)Nc1cccc(F)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: 1-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-fluorophenyl)-1-methylurea is a member of ureas.
Molecule SMILES: CC1CC2OC(=O)C3(C)CCCC(C)(C23)C12CCC(=O)O2

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: (1S,4R,8R,9S,10S,12S)-4,8,10-trimethylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-9,5'-oxolane]-2',3-dione is a natural product found in Marrubium cylleneum with data available.
Molecule SMILES: CC(NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)NC(C(=O)NC=C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)C(C)N(C)C(=O)C1Cc2cccc(O)c2CN1

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

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

assistant: (2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid is a natural product found in Streptomyces coeruleorubidus with data available.
Molecule SMILES: CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C=CCC21C

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: (3S,5S,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol is a natural product found in Commiphora kua with data available.
Molecule SMILES: CCC=CCCCCCCCCCCCCCc1cccc(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: 3-[(E)-14-Heptadecenyl]phenol is a natural product found in Lannea edulis with data available.
Molecule SMILES: CCCCCC(=O)CCCCCC(Cc1cc(O)cc(O)c1)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: [(2R)-1-(3,5-dihydroxyphenyl)-8-oxotridecan-2-yl] acetate is a natural product found in Ononis natrix with data available.
Molecule SMILES: CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

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: Tetracosyl heptafluorobutyrate is a natural product found in Terminalia chebula with data available.
Molecule SMILES: C=C1CCC2OC2(CO)CC2OC23C(C(C)(C)O)CCC3(C)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> What do you know about the molecule?

assistant: 2-[5-(Hydroxymethyl)-13-methyl-10-methylidene-2,6-dioxatetracyclo[11.3.0.01,3.05,7]hexadecan-16-yl]propan-2-ol is a natural product found in Clavularia viridis with data available.
Molecule SMILES: COC1OC(CO)C(O)C(OC2OC(COS(=O)(=O)O)C(OC3OC(CO)C(O)C(OC4OC(COS(=O)(=O)O)C(OC)C(O)C4O)C3O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: [(2S,3R,6S)-6-[(2S,3S,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3-[(2S,4S,5S)-4-[(2S,4R,5R)-3,4-dihydroxy-5-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate is a natural product found in Callicarpa and Porphyra with data available.
Molecule SMILES: CC(O)CC(=O)OC(C)Cc1cc(O)cc(O)c1C(=O)OC(C)CC(=O)OC(C)Cc1cc(O)cc(O)c1C(=O)OC(C)CC1Cc2cc(O)cc(O)c2C(=O)O1

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: Menisporopsin B is a natural product found in Menisporopsis theobromae with data available.
Molecule SMILES: CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)O)C1O)NC(=O)C(O)CCCCCCCCCCCCCCCC

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-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine is a galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxystearoyl. It is a galactosylceramide sulfate and a N-acyl-beta-D-galactosylsphingosine. It is a conjugate acid of a 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxystearoyl]sphingosine(1-).
Molecule SMILES: O=C(O)CC1OC(=O)C(=C2CCCO2)C1=O

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

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

assistant: Carlic acid is a natural product found in Penicillium dierckxii and Penicillium charlesii with data available.
Molecule SMILES: CC#CC#CC=CC(O)CCCCCC(C)=O

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

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

assistant: (E,8R)-8-hydroxypentadec-9-en-11,13-diyn-2-one is a natural product found in Echinacea pallida and Echinacea simulata with data available.
Molecule SMILES: CC(C)C(C)C(O)C1CC23CC(=O)C4(O)C(=C2CCC3C1C)C=CC1CC(=O)CCC14C

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: (5R,6S,7R,12R,13S)-12-hydroxy-7-[(1S,2R)-1-hydroxy-2,3-dimethylbutyl]-6,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1,19-diene-11,16-dione is a natural product found in Aspergillus nidulans with data available.
Molecule SMILES: CCc1ccc(-c2nnn(CCC(=O)OC)n2)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: 3-[5-(4-ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester is a member of tetrazoles.
Molecule SMILES: O=C(CN1CCN(CC(=O)N2CCCc3ccccc32)CC1)N1CCCc2ccccc21

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: Aspernigerin is a natural product found in Aspergillus niger with data available.
Molecule SMILES: O=C(CCC1OC2OC(CO)C(O)C(O)C2OC1c1ccc(O)c(O)c1)c1ccc(O)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> What do you know about the molecule?

assistant: 3-[(2R,3R,4aR,6S,7S,8R,8aR)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-3-yl]-1-(3,4-dihydroxyphenyl)propan-1-one is a natural product found in Curculigo pilosa with data available.
Molecule SMILES: CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OC(CO)C(O)C2OC2OC(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: 3beta-[2-O-(alpha-L-Rhamnopyranosyl)-3-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyloxy]-23-hydroxyolean-12-en-28-oic acid is a natural product found in Allophylus cobbe and Pometia pinnata with data available.
Molecule SMILES: CC(=O)OC1CC(C)(Cl)C(Br)CC1C1(C)OC(C)(C)C(Br)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: [(1R,2S,4R,5R)-4-bromo-2-[(2S,3S,5S)-5-bromo-3-hydroxy-2,6,6-trimethyloxan-2-yl]-5-chloro-5-methylcyclohexyl] acetate is a natural product found in Laurencia catarinensis with data available.
Molecule SMILES: C=C(C)C1CCC2C3(C)CCC(C(C)C4CC=C(C)C(=O)O4)C3(C)CCC23CC13CCC(=O)OC

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: methyl 3-[(1S,4R,5R,8S,9S,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate is a natural product found in Kadsura heteroclita with data available.
Molecule SMILES: O=C([O-])CC(O)(CC(=O)C(=O)[O-])C(=O)[O-]

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

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

assistant: 2-hydroxy-4-oxobutane-1,2,4-tricarboxylate is the tricarboxylate anion of 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid; major species at pH 7.3. It is a conjugate base of a 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid.
Molecule SMILES: NC1COC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)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: Describe this molecule: <molecule_2d> .

assistant: UDP-4-amino-4-deoxy-beta-L-arabinopyranose is a UDP-amino sugar having 4-amino-4-deoxy-beta-L-arabinopyranose as the amino sugar component. It has a role as an Escherichia coli metabolite. It is functionally related to a 4-amino-4-deoxy-beta-L-arabinopyranose. It is a conjugate acid of an UDP-4-amino-4-deoxy-beta-L-arabinopyranose(1-).
Molecule SMILES: NC1COC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)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: UDP-4-amino-4-deoxy-beta-L-arabinopyranose is a natural product found in Apis cerana with data available.
Molecule SMILES: CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12

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-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one is a member of the class of coumarins that is 5,7-dimethoxy-2H-chromen-2-one substituted by a pentyl group and a 1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl group at positions 4 and 8, respectively. It is a member of coumarins, an aromatic ether, a member of pyrrolidines and a tertiary amino compound.
Molecule SMILES: COC1CC(=O)C2CCCCC(C)OC(=O)CC2C1O

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

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

assistant: 4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione is a natural product found in Phomopsis with data available.
Molecule SMILES: COC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(CO)o2)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: Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate is a natural product found in Streptomyces with data available.
Molecule SMILES: CC(C)c1cc2c(c(O)c1O)CC1(C)OC(=O)CC(C)(C)C1=CC2=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: (3S)-14,15-dihydroxy-3,7,7-trimethyl-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,11,13-tetraene-5,10-dione is a natural product found in Premna herbacea with data available.
Molecule SMILES: c1ccc2c(CN3CCOCC3)c3ccccc3c(CN3CCOCC3)c2c1

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: DND-167 dye is a member of morpholines. It has a role as a fluorochrome.
Molecule SMILES: COc1cc(C2OCC3C(c4ccc(OC)c(OC)c4)OCC23O)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: 2-Methoxy-4-[[(3R)-3aalpha-hydroxy-6alpha-(3,4-dimethoxyphenyl)-3a,4,6,6aalpha-tetrahydro-1H,3H-furo[3,4-c]furan]-3alpha-yl]phenol is a natural product found in Olea europaea with data available.
Molecule SMILES: COc1c(OC)c(-c2c[nH]c3c(CC=C(C)C)cccc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12

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-[4-(1H-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-7-(3-methylbut-2-enyl)-1H-indole is a natural product found in Aspergillus terreus with data available.
Molecule SMILES: C[n+]1cccc(C(N)=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> What do you know about the molecule?

assistant: 1-methylnicotinamide is a pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent. It has a role as a Saccharomyces cerevisiae metabolite, a mouse metabolite, a human urinary metabolite, an algal metabolite, a plant metabolite and an anti-inflammatory agent. It is functionally related to a nicotinamide.
Molecule SMILES: C[n+]1cccc(C(N)=O)c1

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

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

assistant: Trigonellamide is under investigation in clinical trial NCT01930240 (The Safety of a Hypolipidemic Agent in Healthy Normal Volunteers).
Molecule SMILES: C[n+]1cccc(C(N)=O)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 description of this molecule <molecule_2d> .

assistant: 1-Methylnicotinamide is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: C[n+]1cccc(C(N)=O)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: 1-Methylnicotinamide is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: C[n+]1cccc(C(N)=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: 1-Methylnicotinamide is a natural product found in Drosophila melanogaster and Homo sapiens with data available.
Molecule SMILES: CC1(C)CC(CN)C(C)(C)N1[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: 3-(aminomethyl)-PROXYL is a member of aminoxyls, a member of pyrrolidines and a primary amine. It is functionally related to a PROXYL.
Molecule SMILES: Cl.Cl.NC(N)=NCCCCCCCCCCN=C(N)N

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: Synthalin is a hydrochloride resulting from the reaction of decamethylenediguanidine with 2 mol eq. of hydrogen chloride. It has a role as a hypoglycemic agent, a nephrotoxin and a hepatotoxic agent. It is a hydrochloride and a guanidinium salt. It contains a synthalin A(2+).
Molecule SMILES: CC(CCC1(C)C2=CCCC(C)(C)C2CCC1C)CC(=O)OCC(O)CO

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

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

assistant: [(2R)-2,3-dihydroxypropyl] (3R)-5-[(1R,2R,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]-3-methylpentanoate is a natural product found in Doris kerguelenensis with data available.
Molecule SMILES: CC(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN=C(N)N)C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(C)=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: Salinichelin B is a natural product found in Salinispora with data available.
Molecule SMILES: S=c1[nH]nc(CCSCc2ccccc2)n1-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: 4-phenyl-3-[2-(phenylmethylthio)ethyl]-1H-1,2,4-triazole-5-thione is a member of triazoles.
Molecule SMILES: COc1c(-c2ccc(OC3(O)C(=O)c4c(O)cc(O)cc4OC3(O)c3ccc(O)c(O)c3)c(O)c2CC=C(C)C)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (2R,3S)-3-[4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxy-3-(3-methylbut-2-enyl)phenoxy]-2-(3,4-dihydroxyphenyl)-2,3,5,7-tetrahydroxychromen-4-one is a natural product found in Dysosma versipellis with data available.
Molecule SMILES: N#Cc1ncn(-c2ccc(N3CCOCC3)c(F)c2)c1N

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: 5-amino-1-[3-fluoro-4-(morpholin-4-yl)phenyl]imidazole-4-carbonitrile is a member of the class of monofluorobenzenes that is benzene substituted by 5-amino-4-cyano-1H-imidazol-1-yl, fluoro, and morpholin-4-yl groups at positions 1, 3 and 4, respectively. It is a member of morpholines, a member of monofluorobenzenes, an aminoimidazole, a primary amino compound and a nitrile.
Molecule SMILES: CC(C)CC(NC(=O)C(CO)NC(=O)C(N)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Tyroserleutide is a tripeptide consisting of tyrosine, serine, and leucine with potential antineoplastic activity. Although the mechanism of its antitumor activity has yet to be fully elucidated, tyroserleutide appears to inhibit the expression of ICAM-1 (CD54), a cell adhesion factor of the immunoglobulin (Ig) superfamily that plays an important role in the invasion, adhesion, and metastasis of tumor cells. In addition, this agent may influence the Ca2+/calmodulin pathway, inhibiting phosphatidylinositol 3 kinase (PI3K); PI3K is upregulated in tumor cells and is involved in cellular proliferation.
Molecule SMILES: O=C(CC(=O)OCC1OC(Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C(O)C(O)C1O)OCC1OC(Oc2cc(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: bis[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl] propanedioate is a natural product found in Equisetum arvense with data available.
Molecule SMILES: COc1cc(O)c2c(c1O)C(=O)C13CC4C(CC1C(C)=O)OC(=O)C4(OC)C(=O)C3=C2O

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: JBIR-85 is an anthraquinone. It has a role as a metabolite.
Molecule SMILES: COc1cc(O)c2c(c1O)C(=O)C13CC4C(CC1C(C)=O)OC(=O)C4(OC)C(=O)C3=C2O

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: (1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione is a natural product found in Streptomyces with data available.
Molecule SMILES: CN1N=C2CCN(C(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)CC2(Cc2ccccc2)C1=O

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

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

assistant: Capromorelin is under investigation in clinical trial NCT00527046 (Effects Of An Oral Growth Hormone Secretagogue In Older Functionally Limited Adults).
Molecule SMILES: CC1CCC2C(C)(C)C(O)CCC2(C)C12CCC1(C=COC1)O2

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: CID 12150850 is a natural product found in Rydingia integrifolia with data available.
Molecule SMILES: CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)C(C)OC(C)=O)CCC3(C)C5CC(OC(C)=O)C4C21O

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: [(1S,2S,6R,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate is a natural product found in Veratrum album with data available.