IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COC(=O)C(CSC)N(C)C(=O)C(CSC)N(C)C(=O)CNC(=O)C(CSC)NC(=O)c1nc2ccccc2cc1O

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: Thiochondrilline B is a natural product found in Verrucosispora with data available.
Molecule SMILES: C=C1C(=O)OC2C=C(C)CCC3OC3(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: [(1R,2R,4S,6S,9E,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate is a natural product found in Tithonia rotundifolia with data available.
Molecule SMILES: COc1cccc2oc3c(Cl)c(O)c(C4CCCC(C)O4)c(O)c3c(=O)c12

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: Chaetoxanthone C is a member of the class xanthones that is 9H-xanthen-9-one substituted by a chloro group at position 4, hydroxy groups at positions 1 and 3, a methoxy group at position 8 and a (2R,6R)-6-methyltetrahydropyran-2-yl group at position 2. It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity. It has a role as a metabolite and an antiprotozoal drug. It is a member of xanthones, a member of phenols, an organochlorine compound and a member of pyrans.
Molecule SMILES: COc1cccc2oc3c(Cl)c(O)c(C4CCCC(C)O4)c(O)c3c(=O)c12

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: Chaetoxanthone C is a natural product found in Chaetomium with data available.
Molecule SMILES: COc1cc2oc(=O)ccc2c(OC)c1CC(O)C(C)(C)Cl

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: 6-[(2S)-3-chloro-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one is a natural product found in Zanthoxylum asiaticum with data available.
Molecule SMILES: CC(=O)OCC1C(C)(C)C(=O)C=CC1(C)C1CCC2(C)C(c3ccoc3)OC(=O)C3OC32C1(C)COC(C)=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: [2-[8-(acetyloxymethyl)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]methyl acetate is a natural product found in Swietenia mahagoni with data available.
Molecule SMILES: O=C(O)C1=CC(=CC=[N+]2CCCC2C(=O)[O-])CC(C(=O)O)N1

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

user: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: Indicaxanthin is a natural product found in Opuntia, Portulaca smallii, and other organisms with data available.
Molecule SMILES: COC1CC(OC2CCC3(C)C4CC(OC(=O)C=Cc5ccccc5)C5(C)C(O)(C(C)OC(=O)c6cccnc6)CCC5(O)C4(O)C=CC3(O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)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: Stephanoside P is a natural product found in Jasminanthes mucronata with data available.
Molecule SMILES: NC1=NC(=O)C(NC=O)C(N)=N1

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: 2,6-diamino-5-formamido-4-hydroxypyrimidine is an aminopyrimidine, a formamidopyrimidine and a hydroxypyrimidine.
Molecule SMILES: CCCCCC=CCC1OC1CC=CCC=CCCCC(=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> What do you know about the molecule?

assistant: 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA(4-) is a polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA; major species at pH 7.3. It is a long-chain fatty acyl-CoA(4-), a polyunsaturated fatty acyl-CoA(4-) and an oxidized icosatrienoyl-CoA(4-). It is a conjugate base of an 11,12-epoxy-(5Z,8Z,14Z)-icosatrienoyl-CoA.
Molecule SMILES: CC1=CC(=O)C2(O1)C(c1cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o1)=Cc1cc(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: 3-[(2R)-5',6'-dihydroxy-5-methyl-3-oxospiro[furan-2,1'-indene]-2'-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione is a natural product found in Inonotus obliquus and Phellinus igniarius with data available.
Molecule SMILES: CNc1ccc(C2CCn3c2nc2ccccc2c3=O)cc1C(=O)OC

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: Anisotine is a member of quinazolines.
Molecule SMILES: CNc1ccc(C2CCn3c2nc2ccccc2c3=O)cc1C(=O)OC

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: Anisotine is a natural product found in Anisotes and Justicia adhatoda with data available.
Molecule SMILES: CC1=CC2OC3OC(=O)C4(C)CCCC3(C1CC(=O)c1ccoc1)C24

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

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

assistant: (1S,5S,6S,9S,11R,14R)-6-[2-(furan-3-yl)-2-oxoethyl]-1,7-dimethyl-10,12-dioxatetracyclo[7.4.1.05,11.05,14]tetradec-7-en-13-one is a natural product found in Hypoestes purpurea with data available.
Molecule SMILES: COC1=CC(C)=CC(C)C(O)C(C)CC(C)=CC=CC(OC)C(C(C)C(O)C(C)C(=O)C=CC(C)C(O)C(C)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: Please give me some details about this molecule <molecule_2d> .

assistant: (3E,5E,7R,8S,9S,11E,13E,15S)-16-[(E,2S,3R,4S,8S,9R)-3,9-dihydroxy-4,8,10-trimethyl-5-oxoundec-6-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one is a natural product found in Streptomyces cavourensis, Streptomyces varsoviensis, and Streptomyces bacillaris with data available.
Molecule SMILES: C#CC=CCCCCCCCCC

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-Tridecen-1-yne is a natural product found in Schisandra chinensis with data available.
Molecule SMILES: CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(C(=O)[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: Isophthalyl-CoA(5-) is an acyl-CoA oxoanion.
Molecule SMILES: COC1C(OC2CCC3(C)C(C(O)CC4(O)C3CCC3(C)C(C(C)CCC(OC5OC(CO)C(OS(=O)(=O)O)C5OC5OC(CO)C(O)C5O)C(C)C)CC(O)C34)C2O)OCC(O)C1O

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: [(2S,3S,4R,5R)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[(3S,6R)-6-[(3S,4R,6R,8S,9R,10S,13R,14S,15S,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4,6,8,15-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl]oxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen sulfate is a natural product found in Hippasteria phrygiana with data available.
Molecule SMILES: OC1COC(OCC2OC(O)C(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: Tell me something about this molecule: <molecule_2d>

assistant: Beta-D-Xylp-(1->6)-alpha-D-Glcp is a glycosylglucose consisting of a beta-D-xylopyranose residue and an alpha-D-glucopyranose residue joined in sequence by a (1->6) glycosidic bond. It is functionally related to a beta-D-xylose and an alpha-D-glucose.
Molecule SMILES: CC(CCCCCC=CC(=O)[O-])OC1OC(C)C(O)CC1O

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: Ascr#15(1-) is conjugate base of ascr#15 It is a conjugate base of an ascr#15.
Molecule SMILES: CC(=O)OC1C2OC(=O)C3c4ccoc4CC(C32)C2(C)C(O)CCC(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (13,17-Dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl) acetate is a natural product found in Caesalpinia with data available.
Molecule SMILES: O=C(O)C=CC(=CC(=O)O)CC(=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: 3-carboxymethylmuconic acid is muconic acid (stereochemistry of C=C bonds unspecified) substituted at the 3-position by a carboxymethyl group. It is functionally related to a muconic acid.
Molecule SMILES: C=CC(C)(O)CC(O)C=C(C)CCC=C(C)CC(O)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (3S,5R,6E,10E,13R)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,13-triol is a natural product found in Geigeria ornativa with data available.
Molecule SMILES: CC12CCC3C(CCC4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1

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: Hellebrigenin glucoside is a steroid lactone. It is functionally related to a bufanolide.
Molecule SMILES: CC12CCC3C(CCC4(O)CC(OC5OC(CO)C(O)C(O)C5O)CCC34C=O)C1(O)CCC2c1ccc(=O)oc1

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: Hellebrigenin glucoside is a natural product found in Helleborus orientalis and Drimia elata with data available.
Molecule SMILES: [NH3+]C(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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Erythro-4-hydroxy-L-glutamate(1-) is a dicarboxylic acid monoanion obtained by deprotonation of the carboxy groups and protonation of the amino group of erythro-4-hydroxy-L-glutamic acid. It has a role as a human metabolite. It is a dicarboxylic acid monoanion and a L-alpha-amino acid anion. It is functionally related to a L-glutamate(1-). It is a conjugate base of an erythro-4-hydroxy-L-glutamic acid.
Molecule SMILES: CCC(C)C=C(C)C=CC(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)C(=Cc3ccc(O)c(O)c3)OC2=O)C(O)(C(C)=O)C(O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (5Z)-3-[2-[(4R,5S)-5-acetyl-2-[(3E,5E,7R)-5,7-dimethyl-2-oxonona-3,5-dienyl]-4,5-dihydroxy-3-oxocyclopenten-1-yl]-4,5-dihydroxyphenyl]-5-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyfuran-2-one is a natural product found in Aspergillus terreus with data available.
Molecule SMILES: CCOC(=O)NN=CC=Cc1ccccc1

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-(cinnamylideneamino)carbamic acid ethyl ester is a member of styrenes.
Molecule SMILES: C=CC(C)(C)c1ccc2c(c1)C1(C)CC3C(=O)N4C(CC5(C)c6ccccc6N(C)C45)C(=O)N3C1N2C

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: Lansai B is a natural product found in Streptomyces with data available.
Molecule SMILES: CCOc1cc(C=NNc2cccc(C(=O)O)c2)ccc1OCC(=O)N1CCCCC1

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-[2-[[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]methylidene]hydrazinyl]benzoic acid is a N-acylpiperidine.
Molecule SMILES: C=CC1C2=CCOC(=O)C2=COC1OC1OC(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: <molecule_2d> What do you know about the molecule?

assistant: Gentiopicroside is a natural product found in Aster auriculatus, Exacum affine, and other organisms with data available.
Molecule SMILES: COc1cc(=O)oc2cc(O)c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(C)c12

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

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

assistant: Desertorin A is a bicoumarin that is 7-hydroxy-4-methoxy-5-methyl-2H-chromen-2-one substituted by a 7-hydroxy-4-methoxy-5-methyl-2-oxo-2H-chromen-6-yl group at position 8. It has a role as an Aspergillus metabolite. It is a conjugate acid of a desertorin A(1-).
Molecule SMILES: COc1ccc(C#Cc2ccc(C3C(CO)N4C(=O)CN(C(=O)c5ccc(F)cc5)CC34)cc2)cc1

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: (6S,7R,8R)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one is a ring assembly, a member of azetidines and a member of benzenes.
Molecule SMILES: COc1cc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(OC3OC(C)C(O)C(OC(C)=O)C3O)C2OC2OCC(O)C(O)C2O)cc(OC)c1OC

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: 2beta,27-Dihydroxy-3beta-(beta-D-glucopyranosyloxy)-5alpha-oleana-12-ene-23,28-dioic acid 28-[2-O-(3-O-acetyl-alpha-L-rhamnopyranosyl)-3-O-(beta-D-xylopyranosyl)-4-O-[(Z)-3-(3,4,5-trimethoxyphenyl)propenoyl]-beta-D-fucopyranosyl] ester is a natural product found in Muraltia heisteria with data available.
Molecule SMILES: CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC

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: Tricaproin is a triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid. It has a role as an insect repellent. It is a triglyceride and a hexanoate ester.
Molecule SMILES: CC(C)=CCCC(C)=CCc1c(O)c(O)c(O)c(C(=O)CCc2ccc(O)cc2)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: 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone is a natural product found in Helichrysum monticola with data available.
Molecule SMILES: C=C1C(=O)OC2C1CCC(=C)C1CCC(C)(OC)C12

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: (3aS,6aR,9S,9aS,9bS)-9-methoxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one is a natural product found in Saussurea costus with data available.
Molecule SMILES: COC1CC(O)C2=C(CC3C(C(C)(C)OC)CCC3(C)O2)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 description of this molecule <molecule_2d> .

assistant: Guignardone R is a natural product found in Phyllosticta capitalensis with data available.
Molecule SMILES: CC=C(C)C(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(OC(=O)c4ccccc4NC(=O)c4ccccc4N)C12O)C1C(CC3C)C1(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: [(1S,4S,5R,6R,9R,10R,12R,14R)-7-(acetyloxymethyl)-5-hydroxy-3,11,11,14-tetramethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] 2-[(2-aminobenzoyl)amino]benzoate is a natural product found in Euphorbia cornigera with data available.
Molecule SMILES: CCC(=O)NC1CCC(CC(=O)NCC2CCCCC2)OC1CO

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,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide is a C-glycosyl compound.
Molecule SMILES: CCC(O)C1CCCC2C3C(=CCCN12)OC(=C1OC(=O)C(C)=C1OC)C3C

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: (5E)-5-[(1S,2R,3S,11S)-11-[(1R)-1-hydroxypropyl]-3-methyl-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one is a natural product found in Stemona kerrii with data available.
Molecule SMILES: O=C(O)c1cccc2ccc3c4ccccc4cc(C(=O)O)c3c12

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: 4,5-Chrysenedicarboxylate is a carbopolycyclic compound.
Molecule SMILES: CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol is a natural product found in Delphinium tatsienense, Aconitum lycoctonum, and other organisms with data available.
Molecule SMILES: CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1

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

user: Provide a description of this molecule <molecule_2d> .

assistant: Pimavanserin is an atypical antipsychotic used in the treatment of hallucinations and delusions in patients with Parkinson disease and psychosis. Use of pimavanserin is associated with a low rate of serum enzyme elevations during therapy but it has not been linked to instances of clinically apparent acute liver injury.
Molecule SMILES: CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)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: Pimavanserin is a member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. It has a role as an antipsychotic agent, a 5-hydroxytryptamine 2A receptor inverse agonist and a serotonergic antagonist. It is a member of ureas, a member of piperidines, a member of monofluorobenzenes, an aromatic ether and a tertiary amino compound. It is a conjugate base of a pimavanserin(1+).
Molecule SMILES: CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)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: Psychotic symptoms associated with Parkinson's disease (PD) are relatively common, reducing quality of life and prognosis for individuals with PD.  Pimavanserin (ACP-103), marketed under the trade name Nuplazid, is a drug developed by Acadia Pharmaceuticals for the treatment of psychosis related to Parkinson's disease. Due to its actions at serotonin receptors and lack of effects on dopamine receptors, pimavanserin treats hallucinations and delusions without causing extrapyramidal symptoms. It was initially approved by the FDA in 2016 and is now under review as a potential treatment for dementia related psychosis. As of April 2021, FDA approval has not been granted for this indication, despite previous breakthrough designation.
Molecule SMILES: CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1

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

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Pimavanserin is an Atypical Antipsychotic.
Molecule SMILES: O=C(CC1CC2c3cc(NC(=O)C4CCC4)ccc3OC2C(CO)O1)NC1CCCC1

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: N-[(1R,3S,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide is a furopyran and a member of cyclobutanes.
Molecule SMILES: O=C1OCC(O)(C(=O)c2ccc(O)c(O)c2)C1=Cc1ccc(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> The above is a compound. Could you please tell me something about it?

assistant: (3E,4R)-4-(3,4-dihydroxybenzoyl)-3-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxyoxolan-2-one is a natural product found in Actaea racemosa with data available.
Molecule SMILES: COc1ccc2[nH]c3cc(OC)c(C)cc3c2c1

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: 2,6-Dimethoxy-3-methyl-9H-carbazole is a natural product found in Glycosmis mauritiana and Glycosmis pentaphylla with data available.