IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: O=C([O-])CN=C([O-])CN=C([O-])CN=C([O-])C[S-].[Na+].[Na+].[O-2].[Tc]

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: Technetium tc-99m mertiatide is a Radioactive Diagnostic Agent. The mechanism of action of technetium tc-99m mertiatide is as a Radiopharmaceutical Activity.
Molecule SMILES: COc1cc2c(c(OC)c1OCC=C(C)CCC=C(C)CCC(O)C(C)(C)O)CNC2=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: Emeriphenolicin C is a natural product found in Aegiceras corniculatum with data available.
Molecule SMILES: C=C1CCC2(O)C(C)(C(=O)O)CCCC2(C)C1(O)CCC(C)=CCO

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: 5alpha,9beta-Dihydroxyisocupressic acid is a natural product found in Talaromyces scorteus with data available.
Molecule SMILES: OCC1OC(Oc2ccc(O)cc2)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> The above is a compound. Could you please tell me something about it?

assistant: (3S,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol is a natural product found in Arbutus unedo with data available.
Molecule SMILES: CC(CC=CC(C)(C)O)C1CCC2(C)C3C=CC45OCC3(CCC12C)C4CCC(OC1OC(CO)C(O)C(O)C1O)C5(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: momordicoside F2 is a natural product found in Momordica charantia with data available.
Molecule SMILES: CC1=CCC(=C(C)C)C(=O)CC(C)=CCC1

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: (E,E)-germacrone is a germacrane sesquiterpenoid that has formula C15H22O. It is a natural product found in traditional medicinal plants of the family Zingiberaceae. The compound exhibits a range of pharmacological activities including anti-inflammatory, anticancer, antiviral, anti-androgenic, antioxidant, antimicrobial, antifungal, neuroprotective and insecticidal activities. It has a role as a volatile oil component, an antiviral agent, an insecticide, an anti-inflammatory agent, an antioxidant, an antineoplastic agent, an apoptosis inducer, an autophagy inducer, an antimicrobial agent, an androgen antagonist, a neuroprotective agent, a plant metabolite, an antifungal agent, an antitussive, an antifeedant and a hepatoprotective agent. It is a germacrane sesquiterpenoid and an olefinic compound.
Molecule SMILES: CC1=CCC(=C(C)C)C(=O)CC(C)=CCC1

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: Germacrone is a natural product found in Rhododendron calostrotum, Rhododendron nivale, and other organisms with data available.
Molecule SMILES: CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](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 description of this molecule <molecule_2d> .

assistant: 1-hexadecanoyl-2-[(7Z,10Z,13Z,16Z)-docosatetraenoyl]-sn-glycero-3-phosphocholine is a phosphatidylcholine 38:4 in which the acyl groups at positions 1 and 2 are hexadecanoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively. It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid and an all-cis-docosa-7,10,13,16-tetraenoic acid.
Molecule SMILES: CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: PC(16:0/22:4(7Z,10Z,13Z,16Z)) is a metabolite found in or produced by Saccharomyces cerevisiae.
Molecule SMILES: Clc1cc(Cl)c2oc3c(Cl)cc(Cl)cc3c2c1

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: Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)
Molecule SMILES: C=C1C(=O)OC2C1CCC(COC(=O)C(C)C)C1(O)CCC(=O)C21C

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: [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl 2-methylpropanoate is a natural product found in Parthenium integrifolium and Parthenium hysterophorus with data available.
Molecule SMILES: CC(=O)OC(C(=O)OCC1C(C=C(C)C)C1(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (1r,3r)-[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl (r)-2-acetoxy-3-methylbutanoate is a natural product found in Pseudococcus calceolariae with data available.
Molecule SMILES: CC(C)C1=CC(=O)C2(C)C(=O)CC3(C)C=CC(C)(OO)CCC3C12

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: Cyanthiwigin R is a natural product found in Myrmekioderma rea with data available.
Molecule SMILES: O=C(O)C(=O)C1=C(O)C(=Cc2ccc(O)c(Cl)c2)NC1=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: Pachydermin is a natural product found in Rossbeevera pachydermis with data available.
Molecule SMILES: CC(C)=CCCC(C)C1C(O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C

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: Kulinone is a triterpenoid. It has a role as a metabolite.
Molecule SMILES: CC(C)=CCCC(C)C1C(O)CC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C

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: Kulinone is a natural product found in Azadirachta indica, Melia azedarach, and Melia dubia with data available.
Molecule SMILES: C=C1C(OC(=O)C=Cc2ccccc2)CCC2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C4(O)CC(C(OC(C)=O)C12)C3(C)CO4

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: Taxezopidine J is a natural product found in Taxus cuspidata with data available.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

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: (25R)-3beta-[4-O-[2-O-(3-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl]-beta-D-galactopyranosyloxy]-5alpha-spirostane is a natural product found in Yucca gloriosa, Agave americana, and Agave amica with data available.
Molecule SMILES: CC(C)NC(=O)N(C)CC1Oc2ncc(-c3cncnc3)cc2C(=O)N(C(C)CO)CC1C

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

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

assistant: 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea is an aromatic ether.
Molecule SMILES: CC(CCC=C(CO)C(=O)O)C1CCC2(C)C3CCC4C(C)(CO)C(=O)CCC45CC35CCC12C

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: (6R)-2-(hydroxymethyl)-6-[(1S,3R,7R,8R,11S,12S,15R,16R)-7-(hydroxymethyl)-7,12,16-trimethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]hept-2-enoic acid is a natural product found in Propolis with data available.
Molecule SMILES: CCOC(=O)CCC(=O)OC(C)CCCCCC1CC=CC(=O)O1

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

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

assistant: 1-O-ethyl 4-O-[7-(6-oxo-2,3-dihydropyran-2-yl)heptan-2-yl] butanedioate is a natural product found in Phleum pratense with data available.
Molecule SMILES: CCOC(=O)CCc1cc2c3nc4ccccc4c-3ccn2cc1C(=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: seco-Semperoviroic acid is a natural product found in Gelsemium elegans with data available.
Molecule SMILES: CC(=O)OCC1OC(OC2C(OC(=O)C=Cc3ccc(O)cc3)C(COC(C)=O)OC(OC3(COC(=O)C=Cc4ccc(O)cc4)OC(CO)C(O)C3OC(=O)c3ccccc3)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(OC2OC(CO)C(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: Please give me some details about this molecule <molecule_2d> .

assistant: [(2S,3S,4R,5S)-2-[(2R,3S,4R,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4S,5R,6S)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate is a natural product found in Polygala tenuifolia with data available.
Molecule SMILES: CN1C2Cc3cc4c(cc3C1Cc1cc3c(cc12)OCO3)OCO4

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: Escholtzine is a natural product found in Cryptocarya chinensis and Eschscholzia californica with data available.
Molecule SMILES: C=C1C(=O)C23C4CC5C(C)(C)CCC(O)C5(C(O)O4)C2CCC1C3O

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,2S,5S,8S,9R,11R,15S,16R,18R)-15,16,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one is a natural product found in Isodon umbrosus with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(C)C(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: Could you provide a description of this molecule <molecule_2d> ?

assistant: Alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-D-GlcNAc is a branched amino tetrasaccharide with a structure consisting of an alpha-galactosyl-(1->3)-beta-galactosyl-(1->4)-N-acetylglucosamine backbone, to the subterminal galactose of which is alpha(1->2)-linked a fucosyl residue. It has a role as an epitope. It is an amino tetrasaccharide and a glucosamine oligosaccharide.
Molecule SMILES: COc1c(C(C)C)cc2c(c1O)C1(C)CCCC(C)(C)C1CC2=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: (4aR,10aR)-5-hydroxy-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one is a natural product found in Salvia candidissima with data available.
Molecule SMILES: O=c1cc(-c2ccc(O)c(O)c2)oc2cc(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: Provide a description of this molecule <molecule_2d> .

assistant: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Glossocardia bidens and Glossogyne tenuifolia with data available.
Molecule SMILES: CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O

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: Gymnemic acid VII is a natural product found in Gymnema sylvestre with data available.
Molecule SMILES: CCCCC(CC)CC1(CC)C=C(CC)C(CC(=O)OC)OO1

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,6R)-4,6-Diethyl-3,6-dihydro-6-[(2S)-2-ethylhexyl]-1,2-dioxin-3-acetic acid methyl ester is a natural product found in Plakortis simplex with data available.
Molecule SMILES: CC1(C)CCC2(C(=O)O)CCC3(COC(=O)C4=Cc5cc(O)c(O)cc5C(c5ccc(O)c(O)c5)C4C(=O)OCC45CCC6(C(=O)O)CCC(C)(C)CC6C4=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

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: Chiliantin A is a natural product found in Rhoiptelea chiliantha with data available.
Molecule SMILES: Oc1ccccc1C1CCCC1

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-cyclopentylphenol is a member of phenols.
Molecule SMILES: CC(=O)N1C=C(C2C3CC(CN4CCC(O)CC34)C3CCCCN32)CCC1

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-[5-[(1S,2R,8S,9R,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone is a natural product found in Leptolobium dasycarpum with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)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: Beta-D-Xylf-(1->2)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc is an amino tetrasaccharide consisting of a beta-D-xylofuranose residue, a beta-D-mannopyranose residue and two 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by (1->2), (1->4) and (1->4) glycosidic bonds. It is an amino tetrasaccharide and a member of acetamides.
Molecule SMILES: CC1=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C(O)C2C(C1)OC(=O)C2C

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,3aS,8aS,9R,9aR)-9-hydroxy-1,5-dimethyl-8-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3a,4,8a,9,9a-hexahydroazuleno[6,5-b]furan-2,6-dione is a natural product found in Cichorium endivia with data available.
Molecule SMILES: CCCCCCCCCCCCCCCC(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 brief overview of this molecule <molecule_2d> .

assistant: 3-hydroxyoctadecanoic acid is a 3-hydroxy monocarboxylic acid and a hydroxyoctadecanoic acid. It is a conjugate acid of a 3-hydroxyoctadecanoate.
Molecule SMILES: CCCCCCCCCCCCCCCC(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: <molecule_2d> What do you know about the molecule?

assistant: 3-Hydroxyoctadecanoic acid is a natural product found in Pyrococcus furiosus, Pseudosuberites, and Centaurea aspera with data available.
Molecule SMILES: CC(=O)NC1C(OC2C(CO)OC(OCC3OC(O)C(NC(C)=O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(NC(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-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: C[N+](C)(C)CCOc1cc(CCN)ccc1O.C[N+](C)(C)CCOc1ccc(CCN)cc1O

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-[4-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium 2-[5-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium is a primary amine.
Molecule SMILES: NCCCCC(NC(=O)C(N)CCCN=C(N)N)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> What do you know about the molecule?

assistant: Arg-Lys is a dipeptide formed from L-arginyl and L-leucine residues. It has a role as a metabolite.
Molecule SMILES: CC1OC(OC(=O)c2ccc(O)cc2)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: 4-Hydroxybenzoyl alpha-L-rhamnopyranoside is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C1CC(OC(=O)C(C)(O)CCl)C2C(=C)C(=O)OC2C2C1CC(O)C2(O)CCl

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: (3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-bismethylene-8alpha,9beta-dihydroxy-9-(chloromethyl)-4beta-[[(R)-3-chloro-2-hydroxy-2-methylpropanoyl]oxy]azuleno[4,5-b]furan-2(3H)-one is a natural product found in Centaurea scoparia and Klasea centauroides with data available.
Molecule SMILES: CC(C)=CCCC(=CCCC(C)=CCCC1(C)C=Cc2cc(O)cc(C)c2O1)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: Describe this molecule: <molecule_2d> .

assistant: (2Z,6Z)-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid is a natural product found in Sargassum fallax with data available.
Molecule SMILES: CC(=O)OC1C2C(OC(=O)c3cccnc3)C3(OC2(C)C)C(C)CCC(OC(C)=O)C3(C)C1OC(=O)c1ccccc1

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,2R,5S,6S,7R,8S,9R,12R)-5,8-diacetyloxy-7-benzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] pyridine-3-carboxylate is a natural product found in Celastrus vulcanicola with data available.
Molecule SMILES: COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)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: Olodaterol is a member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a benzoxazine, a member of phenols, an aromatic ether, a secondary alcohol and a secondary amino compound. It is a conjugate base of an olodaterol(1+).
Molecule SMILES: COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)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: Olodaterol is a novel, long-acting beta2-adrenergic agonist (LABA) that exerts its pharmacological effect by binding and activating beta2-adrenergic receptors located primarily in the lungs. Beta2-adrenergic receptors are membrane-bound receptors that are normally activated by endogenous epinephrine whose signalling, via a downstream L-type calcium channel interaction, mediates smooth muscle relaxation and bronchodilation. Activation of the receptor stimulates an associated G protein which then activates adenylate cyclase, catalyzing the formation of cyclic adenosine monophosphate (cAMP) and protein kinase A (PKA). Elevation of these two molecules induces bronchodilation by relaxation of airway smooth muscles. It is by this mechanism that olodaterol is used for the treatment of chronic obstructive pulmonary disease (COPD) and the progressive airflow obstruction that is characteristic of it. Treatment with bronchodilators helps to mitigate associated symptoms such as shortness of breath, cough, and sputum production. Single doses of olodaterol have been shown to improve forced expiratory volume in 1 sec (FEV1) for 24 h in patients with COPD, allowing once daily dosing. A once-a-day treatment with a LABA has several advantages over short-acting bronchodilators and twice-daily LABAs including improved convenience and compliance and improved airflow over a 24-hour period. Despite similarities in symptoms, olodaterol is not indicated for the treatment of acute exacerbations of COPD or for the treatment of asthma.
Molecule SMILES: COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1

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

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

assistant: Olodaterol is a beta2-Adrenergic Agonist. The mechanism of action of olodaterol is as an Adrenergic beta2-Agonist.