IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OP(C)(C)=O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C

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: Ridaforolimus is a small molecule and non-prodrug analogue of the lipophilic macrolide antibiotic rapamycin with potential antitumor activity. Ridaforolimus binds to and inhibits the mammalian target of rapamycin (mTOR), which may result in cell cycle arrest and, consequently, the inhibition of tumor cell growth and proliferation. Upregulated in some tumors, mTOR is a serine/threonine kinase involved in regulating cellular proliferation, motility, and survival that is located downstream of the PI3K/Akt signaling pathway.
Molecule SMILES: CC(=O)OC1C(COC(=O)c2ccccc2)=CC(Cl)C(O)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: <molecule_2d> What do you know about the molecule?

assistant: [(3R,4R,5S,6S)-6-acetyloxy-5-benzoyloxy-3-chloro-4-hydroxycyclohexen-1-yl]methyl benzoate is a natural product found in Uvaria calamistrata with data available.
Molecule SMILES: COc1cc2c(cc1O)C(Cc1ccc(Oc3cc(CC4NCCc5cc(OC)c(O)cc54)ccc3OC)cc1)NCC2

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-[5-[(7-Hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol is a natural product found in Damburneya salicifolia with data available.
Molecule SMILES: CC1=CC2C(CCC(C)=CCC1)C2(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: trans-Bicyclogermacradiene is a natural product found in Psidium guajava, Porophyllum angustissimum, and other organisms with data available.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Ritonavir is an antiretroviral protease inhibitor that is widely used in combination with other protease inhibitors in the therapy and prevention of human immunodeficiency virus (HIV) infection and the acquired immunodeficiency syndrome (AIDS). Ritonavir can cause transient and usually asymptomatic elevations in serum aminotransferase levels and, rarely, can lead to clinically apparent acute liver injury. In HBV or HCV coinfected patients, highly active antiretroviral therapy with ritonavir may result of an exacerbation of the underlying chronic hepatitis B or C.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Ritonavir is an L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has a role as an antiviral drug, a HIV protease inhibitor, an environmental contaminant and a xenobiotic. It is a member of 1,3-thiazoles, a L-valine derivative, a carbamate ester, a member of ureas and a carboxamide.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Ritonavir is an HIV protease inhibitor that interferes with the reproductive cycle of HIV. Although it was initially developed as an independent antiviral agent, it has been shown to possess advantageous properties in combination regimens with low-dose ritonavir and other protease inhibitors. It is now more commonly used as a booster of other protease inhibitors and is available in both liquid formulations and as capsules.   While ritonavir is not an active antiviral agent against hepatitis C virus (HCV) infection, it is added in combination therapies indicated for the treatment of HCV infections as a booster. Ritonavir is a potent CYP3A inhibitor that increases peak and trough plasma drug concentrations of other protease inhibitors such as [DB09297] and overall drug exposure. American Association for the Study of Liver Diseases (AASLD) and the Infectious Diseases Society of America (IDSA) guidelines recommend ritonavir-boosted combination therapies as first-line therapy for HCV Genotype 1a/b and 4 treatment-naïve patients with or without cirrhosis.   Ritonavir is found in a fixed-dose combination product with [DB09296], [DB09183], and [DB09297] as the FDA-approved product Viekira Pak. First approved in December 2014, Viekira Pak is indicated for the treatment of HCV genotype 1b without cirrhosis or with compensated cirrhosis, and when combined with Ribavirin for the treatment of HCV genotype 1a without cirrhosis or with compensated cirrhosis.  Ritonavir is also available as a fixed-dose combination product with [DB09296] and [DB09297] as the FDA- and Health Canada-approved product Technivie. First approved in July 2015, Technivie is indicated in combination with Ribavirin for the treatment of patients with genotype 4 chronic hepatitis C virus (HCV) infection without cirrhosis or with compensated cirrhosis.  In Canada, ritonavir is also available as a fixed-dose combination product with [DB09296], [DB09183], and [DB09297] as the Health Canada-approved, commercially available product Holkira Pak. First approved in January 2015, Holkira Pak is indicated for the treatment of HCV genotype 1b with or without cirrhosis, and when combined with Ribavirin for the treatment of HCV genotype 1a with or without cirrhosis. The inclusion of ritonavir can select for HIV-1 protease inhibitor resistance-associated substitutions. Any HCV/HIV-1 co-infected patients treated with ritonavir-containing combination therapies should also be on a suppressive antiretroviral drug regimen to reduce the risk of HIV-1 protease inhibitor drug resistance.  Ritonavir is used in combination with other drugs to treat coronavirus disease 2019 (COVID-19) in patients who are at risk for progressing into a severe form of the disease.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Ritonavir is a Cytochrome P450 3A Inhibitor and Protease Inhibitor. The mechanism of action of ritonavir is as a HIV Protease Inhibitor and Cytochrome P450 3A Inhibitor and Cytochrome P450 2D6 Inhibitor and Cytochrome P450 2C19 Inducer and Cytochrome P450 3A Inducer and P-Glycoprotein Inhibitor and Breast Cancer Resistance Protein Inhibitor and Cytochrome P450 3A4 Inhibitor and Cytochrome P450 1A2 Inducer and Cytochrome P450 2C9 Inducer and Cytochrome P450 2B6 Inducer and UDP Glucuronosyltransferases Inducer.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Ritonavir is a peptidomimetic agent that inhibits both HIV-1 and HIV-2 proteases. Ritonavir is highly inhibited by serum proteins but boosts the effect of other HIV proteases by blocking their degradation by cytochrome P450.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Ritonavir (brand name: Norvir) is a prescription medicine approved by the U.S. Food and Drug Administration (FDA) for the treatment of HIV infection in adults and children. Ritonavir is always used in combination with other HIV medicines.
Molecule SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

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: Although ritonavir is FDA-approved for the treatment of HIV infection, it is no longer used for its activity against HIV. Instead, ritonavir (given at low doses) is currently used as a pharmacokinetic enhancer to boost the activity of other HIV medicines.
Molecule SMILES: C=C1CC(O)C=C(C)C(O)CC(C(=C)C)CC=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: <molecule_2d> What do you know about the molecule?

assistant: Cleospinol D is a natural product found in Tarenaya spinosa with data available.
Molecule SMILES: C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)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: Provide a brief overview of this molecule <molecule_2d> .

assistant: Saupirin is a sesquiterpene lactone.
Molecule SMILES: C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Saupirin is a natural product found in Centaurea scoparia, Brachylaena perrieri, and other organisms with data available.
Molecule SMILES: COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(O)C(C)O2)C(O)(O)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: Describe this molecule: <molecule_2d> .

assistant: (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-[(2S,4R,6R)-4-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,5-dihydroxy-6-methyloxan-2-yl]oxy-6-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one is a natural product found in Streptomyces argillaceus with data available.
Molecule SMILES: COc1ccc(-c2oc3c(OC)c(OC)c(O)c(OC)c3c(=O)c2OC)cc1OC

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: 6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone is a natural product found in Citrus unshiu, Citrus deliciosa, and Citrus reticulata with data available.
Molecule SMILES: CC1CCCCOC(CN(C)CC2CC2)C(C)CN(C(C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1

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-[(3R,9R,10R)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-fluorophenyl)urea is an azamacrocycle and a lactam.
Molecule SMILES: CC1C(=O)OC2C=C3CCCC(C)C3(C)CC21

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: Eremophilanolide is a natural product found in Frullania lobulata with data available.
Molecule SMILES: CC=C(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OCC5OC(C(=O)O)C(O)C(O)C5O)CCC34C)C1CC(C)(C)C(OC(=O)C(C)=CC)C2O

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: (2S,3S,4R,5R,6S)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aS,14bR)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-2,3,4a,5,6,6b,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3-yl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylic acid is a natural product found in Gymnema sylvestre with data available.
Molecule SMILES: Oc1ccc(C2Oc3cc(O)c4c5c3C2c2cc(O)cc(O)c2C(c2ccc(O)cc2)C5C(c2ccc(O)cc2)C4c2cc(O)cc(O)c2)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: (1S,2S,3S,9S,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol is a natural product found in Vatica pauciflora with data available.
Molecule SMILES: O=C(OCc1ccccc1)c1ccc(O)c(OC2OC(CO)C(O)C(O)C2O)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 brief overview of this molecule <molecule_2d> .

assistant: benzyl 4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate is a natural product found in Glechoma hederacea and Glechoma longituba with data available.
Molecule SMILES: CCC(C)C1NC(=O)CNC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(Cc2ccccc2)NC(=O)CNC1=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: Yunnanin C is a natural product found in Stellaria yunnanensis with data available.
Molecule SMILES: CC(C)C1OC(=O)C(Cc2ccccc2)N(C)C1=O

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

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

assistant: 3beta-Benzyl-4-methyl-6alpha-isopropylmorpholine-2,5-dione is a natural product found in Beauveria bassiana with data available.
Molecule SMILES: N#Cc1ccc(N2N=C(c3ccccc3)C(=Cc3ccc(C(=O)O)cc3)C2=O)cc1

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

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

assistant: 4-[(Z)-[1-(4-Cyanophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]methyl]benzoic acid is a member of benzoic acids. It has a role as an anticoronaviral agent.
Molecule SMILES: CCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=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: 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate(2-) is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate. It is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) and a 1-oleoyl-2-acyl-sn-glycero-3-phosphate(2-). It is a conjugate base of a 1-(9Z)-octadecenoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate.
Molecule SMILES: O=C(O)C=CC=Cc1ccc2c(c1)OCO2

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: (E,E)-piperic acid is a monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). It has a role as a plant metabolite. It is a member of benzodioxoles and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to an (E)-penta-2,4-dienoic acid. It is a conjugate acid of an (E,E)-piperate.
Molecule SMILES: O=C(O)C=CC=Cc1ccc2c(c1)OCO2

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: Piperic acid is a natural product found in Piper tuberculatum and Piper swartzianum with data available.
Molecule SMILES: O=c1c2c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)cc(O)cc2oc2ccc(O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 1,2,6-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyxanthen-9-one is a natural product found in Swertia perennis with data available.
Molecule SMILES: CC=CC(O)C1CCC(=O)O1

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

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

assistant: Musacin E is a natural product found in Streptomyces griseoviridis with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(C)=O)C(O)C4NC(C)=O)C(O)C3NC(C)=O)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: Beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc-(1->4)-beta-D-GlcpNAc is an amino pentasaccharide consisting of three 2-acetamido-beta-D-glucopyranose residues, a 2-acetamido-alpha-D-glucopyranose residue and a further 2-acetamido-beta-D-glucopyranose residue joined in sequence by (1->4) glycosidic linkages. It is an amino pentasaccharide and a member of acetamides.
Molecule SMILES: COc1cc(O)ccc1C1COc2cc(O)ccc2C1

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: Isovestitol is a member of flavonoids and an ether.
Molecule SMILES: COc1cc(O)ccc1C1COc2cc(O)ccc2C1

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: Isovestitol is a natural product found in Anthyllis vulneraria, Gliricidia, and other organisms with data available.
Molecule SMILES: CCOC(=O)C1NC1C(=O)NCC(=O)NCC(=O)OCc1ccccc1

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: Ethyl (2S,3S)-3-[[2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]ethyl]carbamoyl]aziridine-2-carboxylate is an oligopeptide. It has a role as an anticoronaviral agent.
Molecule SMILES: CC1=CC2(C)C(=C(C)C3C4CC(C)CC(C)C4C4Oc5ccc(cc5)CC5(O)NC(=O)C6(OC56)C(=O)C2C43)C1C

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: 24-Hydroxy-4,6,7,9,13,15-hexamethyl-18,26-dioxa-28-azaoctacyclo[22.2.2.219,22.13,10.01,25.04,8.011,16.017,31]hentriaconta-5,8,19(30),20,22(29)-pentaene-2,27-dione is a natural product found in Plagiostoma with data available.
Molecule SMILES: CC(=O)Oc1c(OC(=O)CC(C)OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)CC(C)O)c(OC(=O)CC(C)OC(C)=O)c1-c1ccc(O)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: Curtisian C is a para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy group at position 3', hydroxy groups at positions 4 and 4'' a (3-hydroxybutanoyl)oxy group at position 6' and [3-(acetyloxy)butanoyl]oxy groups at positions 2' and 5' respectively. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is an acetate ester, a member of phenols and a para-terphenyl. It is functionally related to a 3-hydroxybutyric acid. It derives from a hydride of a 1,4-diphenylbenzene.
Molecule SMILES: CC1(C)CC2C(O)C3=C(CC(C)(O)C2C1)C(=O)OC3O

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,5S,5aS,8aR,9S)-1,5,9-trihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one is a natural product found in Russula delica, Lactarius blennius, and other organisms with data available.
Molecule SMILES: CCCCCCCc1cc2c(=O)oc3cc(OC)c(O)c(CCCCCCC)c3c2oc1=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: 3,10-Diheptyl-9-hydroxy-8-methoxypyrano[3,2-c]chromene-2,5-dione is a natural product found in Lysimachia fordiana with data available.
Molecule SMILES: CCN1CC2(COC)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: Subcusine is a natural product found in Aconitum variegatum, Delphinium pentagynum, and Aconitum japonicum with data available.
Molecule SMILES: NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1

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: MK-2206 is an organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted at positions 8 and 9 respectively by 4-(1-aminocyclobutyl)phenyl and phenyl groups. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is functionally related to a 1,6-naphthyridine.
Molecule SMILES: NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1

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: Akt Inhibitor MK2206 is an orally bioavailable allosteric inhibitor of the serine/threonine protein kinase Akt (protein kinase B) with potential antineoplastic activity. Akt inhibitor MK2206 binds to and inhibits the activity of Akt in a non-ATP competitive manner, which may result in the inhibition of the PI3K/Akt signaling pathway and tumor cell proliferation and the induction of tumor cell apoptosis. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis and dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.