IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=C1C(=O)OC2C=C(C)C(O)CC(=O)C(C)(O)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: <molecule_2d> What do you know about the molecule?

assistant: [(3aS,4R,6R,9S,10E,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate is a natural product found in Bejaranoa semistriata with data available.
Molecule SMILES: COc1cc(C2Oc3c(OC)cc(C=CC(=O)O)cc3C2CO)cc(OC)c1O

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

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

assistant: (alphaE)-2alpha-(3,5-Dimethoxy-4-hydroxyphenyl)-3beta-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-propenoic acid is a natural product found in Selaginella moellendorffii with data available.
Molecule SMILES: CCCCCC1OC(=O)CC(O)C(O)C=CC(O)C1OC(=O)C(C)=CC(C)CC

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: Irlixjljaaxrfk-gchfjxrnsa- is a natural product found in Phomopsis with data available.
Molecule SMILES: CCCC(=O)OCC(C=C=C1C(C)(C)CC(OC(C)=O)CC1(C)O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)CC12OC1(C)CC(O)CC2(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: 19'-Butanoyloxyfucoxanthin is a natural product found in Pelagococcus subviridis with data available.
Molecule SMILES: COC(=O)CC1C=CC(NS(=O)(=O)c2ccccc2F)C(CO)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: 2-[(2S,3S,6S)-3-[(2-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester is a sulfonamide.
Molecule SMILES: COC1C(OC2C=CC=Cc3coc(n3)C(C)C(O)CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC2C)OC(C)C(O)C1OC

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: Chivosazole B is a glycoside.
Molecule SMILES: COC1C(OC2C=CC=Cc3coc(n3)C(C)C(O)CC(O)C=CC=CC=CC(C)C(C(C)C(O)CC(C)O)OC(=O)C=CC=CC=CC(C)=CC2C)OC(C)C(O)C1OC

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: Chivosazole B is a natural product found in Sorangium cellulosum with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(OC3C(O)C(OC4C(O)CC(O)(C(=O)O)OC4C(O)CO)OC(C(O)CO)C3OC3OC(CO)C(O)C(O)C3O)OC(C(O)CO)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 brief overview of this molecule <molecule_2d> .

assistant: Beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-Kdo is a branched amino pentasaccharide consisting of a trisaccharide chain of beta-D-glucose, L-glycero-alpha-D-manno-heptose (Hep) and 3-deoxy-D-manno-oct-2-ulose (Kdo) residues linked in a (1->4), (1->5) sequence, to the Hep residue of which is linked (1->3) an N-acetyl-alpha-D-glucosaminyl-(1->2)-L-glycero-alpha-D-manno-heptosyl side-chain. lpt3 and and galE mutant of the core oligosaccharide of Neisseria meningitidis.
Molecule SMILES: COCC(CC1OC(O)(C(O)C2CC(OC)C(O)CCC=C(C)C=CC(OC3OC(C)C(OC)C(O)C3O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O2)C(C)C(O)C1C)OC1CC(C)(O)C(OC2CC(OC)C(O)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: Apoptolidin is a natural product found in Nocardiopsis with data available.
Molecule SMILES: CC1OC(Oc2ccc(-c3oc4cc(O)cc(O)c4c(=O)c3OC3OC(CO)C(O)C(O)C3O)cc2O)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: Quercetin 4'-O-alpha-L-rhamnopyranosyl-3-O-beta-D-allopyranoside is a quercetin O-glycoside that consists of quercetin attached to a alpha-L-rhamnopyranosyl moiety at position 4' and a beta-D-allopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Acacia pennata, it exhibits inhibitory activity against cyclooxygenase 1 and 2. It has a role as a metabolite, a cyclooxygenase 1 inhibitor and a cyclooxygenase 2 inhibitor. It is an alpha-L-rhamnoside and a quercetin O-glycoside. It is functionally related to a beta-D-allose.
Molecule SMILES: O=c1c(-c2ccc(O)c(O)c2)coc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)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: 3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Lupinus albus with data available.
Molecule SMILES: O=P([O-])([O-])[O-].[Mg+2].[NH4+]

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: Ammonium magnesium phosphate is an inorganic phosphate that is the ammonium magnesium salt of phosphoric acid. It has a role as a fertilizer. It is an inorganic phosphate, an ammonium salt and a magnesium salt. It contains a phosphate(3-).
Molecule SMILES: CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(O)C(OC4C(O)C(OC5C(OC6(C(=O)O)CC(O)C(O)C(C(O)CO)O6)CC(O)(C(=O)O)OC5C(O)CO)OC(C(O)CO)C4OC4OC(CO)C(O)C(O)C4O)OC(C(O)CO)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO

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: Alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo is a branched amino heptasaccharide consisting of a linear pentasaccharide comprising N-acetyl-alpha-neuraminic acid, beta-D-galactose, two L-glycero-alpha-D-manno-heptose (L-alpha-D-Hep) residues and a 3-deoxy-alpha-D-manno-oct-2-ulose (alpha-Kdo) residue linked in sequence (2->3), (1->3),(1->3), (1->3) and (1->5), to the L-alpha-D-Hep residue proximal to the reducing end is also linked (1->4) a beta-D-glucose residue, while the alpha-Kdo residue also carries a second alpha-Kdo residue linked (2->-4). One of a number of chemoenzymatically synthesised oligosaccharides composed of the inner core oligosaccharide of Campylobacter jejuni extended by various ganglioside mimics.
Molecule SMILES: CC(=O)Nc1ccccc1C(=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: N-acetylanthranilate is an amidobenzoate consisting of anthranilate carrying an N-acetyl group. It is functionally related to an anthranilate. It is a conjugate base of a N-acetylanthranilic acid.
Molecule SMILES: CC(=O)Nc1ccccc1C(=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: N-Acetylanthranilate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CCCCCCC=CC=CCCCCCCCC(=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: Provide a brief overview of this molecule <molecule_2d> .

assistant: (9Z,11E)-octadecadienoyl-CoA is an octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,11E)-octadecadienoic acid. It is functionally related to a 9-cis,11-trans-octadecadienoic acid. It is a conjugate acid of a (9Z,11E)-octadecadienoyl-CoA(4-).
Molecule SMILES: CCCCCCC=CC=CCCCCCCCC(=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: Provide a description of this molecule <molecule_2d> .

assistant: (9Z,11E)-octadecadienoyl-CoA is a natural product found in Homo sapiens with data available.
Molecule SMILES: COc1cc(CCC(C(=O)O)N(C)C)cc(OC)c1O

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

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

assistant: Peltigerine is a natural product found in Solorina spongiosa, Nephroma resupinatum, and other organisms with data available.
Molecule SMILES: COc1cc(C=CC(=O)OC2CCC3(C)C(CCC4(C)C3C=CC35OC(=O)C6(CCC(C)C(C)C63)CCC45C)C2(C)C)ccc1O

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

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

assistant: [(1S,4S,5R,8R,10S,13S,14R,17S,18R,19S,20R)-4,5,9,9,13,19,20-heptamethyl-23-oxo-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is a natural product found in Eucalyptus tereticornis with data available.
Molecule SMILES: O=C1CNC(=O)COCCOCC(=O)NCC(=O)NCCOCCN1

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: 1,4,13-trioxa-7,10,16,19-tetraazacycloheneicosane-6,9,17,20-tetrone is a keratan 6'-sulfate and an azamacrocycle.
Molecule SMILES: CC(=O)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> What do you know about the molecule?

assistant: Acetyl methyl carbinol appears as a light-yellow colored liquid that can form a crystalline solid when it dimerizes. Slightly denser than water. Hence sinks in water. Used to make other chemicals.
Molecule SMILES: CC(=O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Acetoin is a methyl ketone that is butan-2-one substituted by a hydroxy group at position 3. It has a role as a metabolite. It is a methyl ketone and a secondary alpha-hydroxy ketone.
Molecule SMILES: CC(=O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Acetoin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Molecule SMILES: CC(=O)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: Provide a description of this molecule <molecule_2d> .

assistant: Acetoin is a natural product found in Coffea arabica, Bacillus anthracis, and other organisms with data available.
Molecule SMILES: CC(CCOc1c2ccoc2cc2oc(=O)ccc12)C1=CC(=O)C(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: 4-(3-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)butoxy)-7H-furo[3,2-g]chromen-7-one is a natural product found in Dorstenia bahiensis with data available.
Molecule SMILES: COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl.Cl.Cl.Cl

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: Methoctramine tetrahydrochloride is a hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. It has a role as a muscarinic antagonist. It contains a methoctramine(4+).
Molecule SMILES: CC1=C2C(OC(=O)C(C)C)C3(C)C(C)CCCC3(O)CC2(O)OC1=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: (4S)-3,4abeta,5beta-Trimethyl-4beta-(isobutyryloxy)-8abeta,9abeta-dihydroxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one is a natural product found in Ligularia kanaitzensis with data available.
Molecule SMILES: COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1

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-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide is a member of quinolines.
Molecule SMILES: COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)C(O)C(OC2OCC(O)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: methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate is a natural product found in Momordica cochinchinensis with data available.
Molecule SMILES: CCCCCCCCC=CCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC

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-(11Z)-icosenoylphytosphingosine is an N-icosenoylphytosphingosine in which the double bond is located at position 11 (the Z-geoisomer). It is functionally related to an (11Z)-icos-11-enoic acid.
Molecule SMILES: O=c1cc(-c2ccc(O)cc2)oc2c(C3OCC(O)C(O)C3O)c(O)c(C3OCC(O)C(O)C3O)c(O)c12

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-(4-hydroxyphenyl)-6-[(2S,3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-8-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one is a natural product found in Viola philippica with data available.
Molecule SMILES: CC1OC(OC2C(O)C(OC3C(O)CC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OC(C(=O)O)C2O)C(O)C(O)C1O

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

user: <molecule_2d> What do you know about the molecule?

assistant: 2beta-Hydroxy-3beta-[(3-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranuronosyl)oxy]oleana-12-ene-28-oic acid 28-beta-D-glucopyranosyl ester is a natural product found in Amaranthus cruentus, Amaranthus hypochondriacus, and Amaranthus hybridus with data available.
Molecule SMILES: OCC1=CC(O)C2C=COC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)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: (2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[[(1S,4aR,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a natural product found in Plantago asiatica and Plantago major with data available.
Molecule SMILES: CC1=CC(=O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: (1S,4aS,7aR)-4a-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,7a-dihydrocyclopenta[c]pyran-5-one is a natural product found in Teucrium polium with data available.
Molecule SMILES: Nc1nc(N)c(N)c(=O)[nH]1

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: 2,5,6-triamino-4-hydroxypyrimidine is a member of the class of aminopyrimidines that is 2,5,6-triaminopyrimidine carrying an additional hydroxy substituent at position 4. It has a role as a chromophore and an antioxidant. It is an aminopyrimidine and a hydroxypyrimidine.
Molecule SMILES: CCCCCCCCC1OC1CCCCCCCC(=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: (9R,10S)-9,10-epoxyoctadecanoate is a 9,10-epoxyoctadecanoate that is the conjugate base of (9R,10S)-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a conjugate base of a (9R,10S)-9,10-epoxyoctadecanoic acid. It is an enantiomer of a (9S,10R)-epoxyoctadecanoate.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccccc21

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: Doxepin is a tricyclic antidepressant that widely used in the therapy of depression. Doxepin can cause mild and transient serum enzyme elevations but is a rare cause of clinically apparent acute cholestatic liver injury.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccccc21

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: Doxepin is a dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug. It has a role as an antidepressant. It is a dibenzooxepine and a tertiary amino compound.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccccc21

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: Doxepin is a psychotropic agent with antidepressant and anxiolytic properties. It is a tertiary amine that can be presented as (E) and (Z) stereoisomers with the (Z) stereoisomer corresponding to [cidoxepin]. Doxepin commonly produces a 5:1 (E):(Z) racemic mixture.   In a strict sense, doxepin is not a tricyclic antidepressant but it is commonly associated with the class since it shares a lot of properties with members of the drug family including [amitriptyline], [clomipramine], [desipramine], [imipramine], [nortriptyline], [protriptyline] and [trimipramine].   Doxepin was developed by Pfizer and FDA approved in 1969 as an antidepressant. However, in 2010 it was approved for the treatment of insomnia. The latter indication was presented by Pernix Therapeutics.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccccc21

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: Cidoxepin is a psychotropic agent similar to doxepin with potential antianxiety and antidepressant activities. Although its exact mechanism of action has yet to be fully elucidated, cidoxepin may act similarly to doxepin. Cidoxepin may inhibit the reuptake of serotonin and noradrenaline from the synaptic cleft, thereby increasing their activity. This may account for its antianxiety and antidepressant effects.
Molecule SMILES: CN(C)CCC=C1c2ccccc2COc2ccccc21

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: Doxepin hydrochloride is a dibenzoxepin-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, doxepin does not affect mood or arousal, but may cause sedation. In depressed individuals, doxepin exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as doxepin and amitriptyline, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical &beta;-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine H<sub>1</sub> receptors, &alpha;<sub>1</sub>-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. Doxepin has less sedative and anticholinergic effects than amitriptyline. See toxicity section below for a complete listing of side effects. Doxepin may be used to treat depression and insomnia. Unlabeled indications include chronic and neuropathic pain, and anxiety. Doxepin may also be used as a second line agent to treat idiopathic urticaria.
Molecule SMILES: O=C(O)CCCCCCCCCCC(=O)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: Dodecanedioic acid is an alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as an EC 1.1.1.1 (alcohol dehydrogenase) inhibitor and a human metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of a dodecanedioate(2-). It derives from a hydride of a dodecane.
Molecule SMILES: O=C(O)CCCCCCCCCCC(=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: Dodecanedioic acid is a natural product found in Phaseolus vulgaris, Trypanosoma brucei, and other organisms with data available.
Molecule SMILES: COc1cc(C=CC(=O)OC2C(CO)OC(OCCc3cccc(OC)c3O)C(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 give me a brief overview of this molecule <molecule_2d> ?

assistant: [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(2-hydroxy-3-methoxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is a natural product found in Rehmannia glutinosa with data available.
Molecule SMILES: O=C(OC1C2CC(=O)C(O)(CO2)C1OC(=O)c1ccccc1)c1ccccc1

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: [(1S,4R,5S,6R)-5-benzoyloxy-4-hydroxy-8-oxo-2-oxabicyclo[2.2.2]octan-6-yl] benzoate is a natural product found in Uvaria grandiflora with data available.