IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1

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: Myelofibrosis (MF) is a rare disorder characterized by hematopoietic abnormalities and fibrosis within the bone marrow. The underlying cause of primary MF is unknown, but secondary MF can arise in patients with a history of polycythemia vera or essential thrombocythemia. While some patients may remain asymptomatic, typical symptoms of MF arise from abnormalities in blood cell production and may therefore include various cytopenias, infections, splenomegaly, and general systemic symptoms such as fever. Approximately 50% of patients with primary MF have a mutation of the JAK2 gene, which is also commonly mutated in patients with polycythemia vera or essential thrombocythemia. JAK2 signaling is important for hematopoiesis and proper immune functioning, and while the precise role it plays in the pathogenesis of MF remains unclear, its clear association with MF has made it a desirable therapeutic target in MF treatment.  Pacritinib is an inhibitor of both wild-type and mutant (V617F) JAK2, as well as FMS-like tyrosine kinase 3 (FLT3), which was granted accelerated approval by the FDA in February 2022 for the treatment of both primary and secondary MF in patients with platelet counts < 50 x 109/L. It provides a treatment option for patients who have MF with severe thrombocytopenia, which occurs in approximately one-third of MF patients and carries with it a particularly poor prognosis.
Molecule SMILES: C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1

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: Pacritinib is an orally bioavailable inhibitor of Janus kinase 2 (JAK2), the JAK2 mutant JAK2V617F and FMS-like tyrosine kinase 3 (FLT3; CD135; STK1; FLK2), with potential antineoplastic activity. Upon oral administration, pacritinib competes with JAK2 and the JAK2 mutant JAK2V617F for ATP binding, which may result in inhibition of JAK2 activation, inhibition of the JAK-signal transducer and activator of transcription (STAT) signaling pathway, and the induction of apoptosis. In addition, pacritinib targets, binds to and inhibits the activity of FLT3. This inhibits FLT3-mediated signaling and the proliferation of FLT3-expressing cancer cells. JAK2, often upregulated or mutated in a variety of cancer cells, plays a key role in tumor cell proliferation and survival. The JAK2V617F gain-of-function mutation involves a valine-to-phenylalanine modification at position 617. The JAK-STAT signaling pathway is a major mediator of cytokine activity. FLT3, a class III receptor tyrosine kinase (RTK), is overexpressed or mutated in most B-lineage neoplasms and in acute myeloid leukemias. In addition, JAK2 and FLT3 play a key role in the regulation of the inflammatory response and dendritic cell (DC) proliferation, differentiation and function. Inhibition of JAK2- and FLT3-mediated signaling may suppress the generation and differentiation of DCs, and may regulate inflammatory and immune responses.
Molecule SMILES: C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1

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: Pacritinib is a Kinase Inhibitor. The mechanism of action of pacritinib is as a Tyrosine Kinase Inhibitor, and Janus Kinase Inhibitor, and Cytochrome P450 1A2 Inhibitor, and Cytochrome P450 3A4 Inhibitor, and P-Glycoprotein Inhibitor, and Breast Cancer Resistance Protein Inhibitor, and Organic Cation Transporter 1 Inhibitor.
Molecule SMILES: COC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3COC(OC4C(OC5CCC6(C)C7CCC89C(=O)OC(C)(CC(CC(C)C)OC(C)=O)C8CCC9(C)C7=CCC6C5(C)C)OCC(OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(OC)C6O)C5O)C4O)C(O)C3O)C2O)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: [(2S)-1-[(2S,6S,13R,16S)-16-[(2S,3R,4S,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-2,6,13,17,17-pentamethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-6-yl]-4-methylpentan-2-yl] acetate is a natural product found in Stichopus chloronotus with data available.
Molecule SMILES: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCNC

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-(docosanoyloxy)-2-[(15Z)-tetracos-15-enoyloxy]propoxy][2-(methylamino)ethoxy]phosphinic acid is a phosphatidylethanolamine.
Molecule SMILES: C=C(N=C(O)C(=C)N=C(O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C(C(C)CC)N=C(O)C(Cc2ccc(O)cc2)N=C(O)c2csc(n2)C(C(O)c2ccccc2)N=C(O)c2nc(sc2C)C(CC(=N)O)N=C(O)c2csc-3n2)n1)C(=O)O

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

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

assistant: 2-[2-[[2-[(18S,25S,32S,35S)-18-(2-amino-2-oxoethyl)-35-[(2S)-butan-2-yl]-25-[(R)-hydroxy(phenyl)methyl]-32-[(4-hydroxyphenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoic acid is a natural product found in Nonomuraea with data available.
Molecule SMILES: CC=CCCCCCCCCCC

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: (2E)-2-tridecene is an alkene that is tridecane carrying a double bond at position 2. It has a role as a metabolite.
Molecule SMILES: COc1cc(O)c(CC=C(C)C)cc1C1COc2cc(O)ccc2C1=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: (3S)-7-hydroxy-3-[4-hydroxy-2-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one is a natural product found in Erythrina sigmoidea with data available.
Molecule SMILES: CC(O)C#Cc1cnc2c(c1)C(=O)N(C(C)CO)CC(C)C(CN(C)Cc1ccc(-c3ccccc3)cc1)O2

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: (2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one is a member of biphenyls.
Molecule SMILES: O=c1cc2c(nn1-c1ccc(Cl)cc1)-c1ccccc1S(=O)CC2

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: Y 23684 is a pyridazinone.
Molecule SMILES: O=C(O)CCCCCCCC(O)C(O)CCCCCCO

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: Aleuretic Acid is a long-chain fatty acid.
Molecule SMILES: COc1ccc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4O)c(O)c(O)c3c(=O)c2O)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 brief overview of this molecule <molecule_2d> .

assistant: 3,5,6-trihydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one is a natural product found in Klasea centauroides with data available.
Molecule SMILES: C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(OC5OC(C)C(OC(C)=O)C(O)C5O)CCC4(C)C3CCC21C)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: Tell me something about this molecule: <molecule_2d>

assistant: Sinularia glycoside is a steroid saponin that is 3,7,16-trihydroxyergosta-5,24(28)-diene substituted by a 4-O-acetyl-6-deoxy-alpha-L-galactopyranosyl residue at position 3 via a glycosidic linkage (the 3beta,7beta,16beta stereoisomer). Isolated from Sinularia crispa, it exhibits spermatostatic activity. It has a role as a metabolite. It is a steroid saponin, an acetate ester, an ergostanoid, a monosaccharide derivative, a secondary alcohol, a 16beta-hydroxy steroid and a 7beta-hydroxy steroid.
Molecule SMILES: CC1C(=O)OCC2C1CCC2(C)OC1OC(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: Provide a description of this molecule <molecule_2d> .

assistant: 4,7-Dimethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-3-one is a natural product found in Patrinia scabra with data available.
Molecule SMILES: CC1CN(C(C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2COC1CN(C)S(=O)(=O)c1ccc(F)cc1

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: LSM-30629 is an indolyl carboxylic acid.
Molecule SMILES: CC=C(C)C(=O)OC1CC2C=CC(C1)N2C

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: 6,7-Dehydro-3-tigloyloxytropane is a natural product found in Datura stramonium with data available.
Molecule SMILES: CCCCCC(O)Cc1cc(O)c(C(=O)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: Tell me something about this molecule: <molecule_2d>

assistant: 2,6-Dihydroxy-4-[(R)-2-hydroxyheptyl]benzoic acid is a natural product found in Penicillium oxalicum with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(COC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(C)=O)C(O)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5NC(C)=O)C(O)C4OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4NC(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: Could you give me a brief overview of this molecule <molecule_2d> ?

assistant: CID 91853731 is a member of carbohydrates and carbohydrate derivatives.
Molecule SMILES: CCCC=CCCCCC

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: Amyl Amylen is a natural product found in Angelica gigas with data available.
Molecule SMILES: C=C(CC(=O)C=C(C)C)C(=O)CCC(C)=CCCC(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: 16-Hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione is a natural product found in Bifurcaria bifurcata with data available.
Molecule SMILES: CC1CCCCOC(CN(C)C(=O)c2ccccc2)C(C)CN(C(C)CO)C(=O)c2cc(NS(C)(=O)=O)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: N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide is a lactam and an azamacrocycle.
Molecule SMILES: Cc1noc(C)c1NC(=O)Nc1cccc2c1OC(CN(C)Cc1ccncc1)C(C)CN(C(C)CO)C2=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: 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea is an aromatic ether.
Molecule SMILES: C=CC1CC=CC1CCCC

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

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

assistant: 3-Butyl-4-vinyl-cyclopentene is a natural product found in Pteris preussii with data available.
Molecule SMILES: CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(OC6OCC(O)(CO)C6O)C5O)C(O)C(O)C34C)C2(C)C)OC(COC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1O

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

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

assistant: Rheediinoside A is a natural product found in Entada rheedei with data available.
Molecule SMILES: C=C1CCC2C(C)(C)CCCC2(C)C1CC12CC3C(=O)N(C)C(C(C)C)C(=O)N3C1Nc1ccccc12

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: Drimentine F is a natural product found in Streptomyces with data available.
Molecule SMILES: CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Molecule SMILES: CC1CC(=O)c2c(O)cccc2C1O

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: 4,8-dihydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one is a natural product found in Ancistrocladus heyneanus and Diospyros with data available.
Molecule SMILES: O=CC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(NC3C(O)C(O)C(O)C4(CO)OC34)C(O)C2O)C(O)C1O)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: Tell me something about this molecule: <molecule_2d>

assistant: (2R,3S,4R,5R)-4-[(2R,3R,4S,5R,6R)-5-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(1R,2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal is a natural product found in Streptomyces with data available.
Molecule SMILES: C=C(C)C1CCC2(C)C(O)CC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)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: Calenduladiol is a natural product found in Chuquiraga erinacea and Pulicaria canariensis with data available.
Molecule SMILES: CC1=CC=CC2(C)CCC3C(C)C(=O)OC3C12

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: Feropodin is a natural product found in Ferula oopoda with data available.
Molecule SMILES: C=CC1(C)CCC(C(C)c2ccc(C)o2)O1

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

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

assistant: cis-threo-Davanafuran is a natural product found in Artemisia pallens with data available.
Molecule SMILES: C#CC=CCC(Cl)C1CC2OC2C(CBr)C(CC)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: (1R,2S,3R,5S,7S)-2-(bromomethyl)-5-[(Z,1R)-1-chlorohex-3-en-5-ynyl]-3-ethyl-4,8-dioxabicyclo[5.1.0]octane is a natural product found in Laurencia microcladia and Laurencia dendroidea with data available.
Molecule SMILES: CC(C)CC(=O)N(C)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: N-isovalerylsarcosine is an N-acyl-amino acid resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of sarcosine. It has a role as a human blood serum metabolite. It is a glycine derivative, a N-acyl-amino acid and a tertiary carboxamide.
Molecule SMILES: COc1ccc(C2OCC3C(c4cc(OC)c(OC)c(OC)c4C)OCC23)cc1OC

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: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxy-2-methylphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is a natural product found in Magnolia biondii with data available.
Molecule SMILES: Cc1ccc(-n2nc(C)cc2NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)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: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetamide is a ring assembly and a member of pyrazoles.
Molecule SMILES: CN1C=C2C(=C(Br)C(=O)C3=C2S(=O)(=O)C=CN3)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: Euthyroideone B is a natural product found in Euthyroides episcopalis with data available.
Molecule SMILES: CCC(=O)NC1C=CC(CC(=O)NCc2ccc(OC)cc2)OC1CO

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: N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]propanamide is a member of methoxybenzenes.
Molecule SMILES: CC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5C(O)CC4(C)C3(C)CC(OC3OC(CO)C(O)C(O)C3O)C2(C)CC1O

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: 3beta,16beta-Bis(beta-D-glucopyranosyloxy)oleana-12-ene-6beta,21beta,23-triol is a natural product found in Silphium radula with data available.
Molecule SMILES: CC12CCC(OS(=O)(=O)O)C=C1CCC1C2CCC2(C)C(OS(=O)(=O)O)CCC12

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-androstene-3beta,17beta-diol disulfate is a steroid sulfate that is 4-androstene-3beta,17beta-diol in which both hydroxy hydrogens have been replaced by sulfo groups. It is a conjugate acid of a 4-androstene-3beta,17beta-diol disulfate anion and a 4-androstene-3beta,17beta-diol disulfate(2-).
Molecule SMILES: COc1cc2oc(=O)ccc2cc1O

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: Isoscopoletin is a hydroxycoumarin that is esculetin in which the hydroxy group at position 7 is replaced by a methoxy group. It is the major primary metabolite of scoparone. It has a role as a plant metabolite. It is a hydroxycoumarin and an aromatic ether. It is functionally related to an esculetin.
Molecule SMILES: COc1cc2oc(=O)ccc2cc1O

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: Isoscopoletin is a natural product found in Clausena dunniana, Olea capensis, and other organisms with data available.
Molecule SMILES: CC(=O)OCC1OC(OCCc2ccc(O)c(O)c2)C(OC2OCC(O)(CO)C2O)C(OC2OC(C)C(O)C(O)C2O)C1OC(=O)C=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: Describe this molecule: <molecule_2d> .

assistant: [(2R,3R,4S,5R,6R)-2-(acetyloxymethyl)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a natural product found in Markhamia stipulata and Markhamia lutea with data available.
Molecule SMILES: CC1CCC2(CC(=O)NC(N)=N2)C(C)C1

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: (6R,7S,9S)-2-imino-7,9-dimethyl-1,3-diazaspiro[5.5]undecan-4-one is an azaspiro compound resulting from the spiro-fusion of 2-imino-1,3-diazinan-4-one at position 6 with 1,3-dimethylcyclohexane. It is a marine metabolite isolated from Vietnamese pufferfish Tetraodon biocellatus and a potential intermediate in the biosynthetic pathway leading to the synthesis of tetrodotoxin. It has a role as an animal metabolite and a marine metabolite. It is an azaspiro compound and an organic heterobicyclic compound.
Molecule SMILES: Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OC(=O)C(N)CCC(=O)O)C1O

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

user: Could you provide a description of this molecule <molecule_2d> ?

assistant: 3'-L-glutamyl-AMP is an L-glutamyl ester obtained by formal condensation of the alpha-carboxy group of L-glutamic acid with the 3'-hydroxy group of AMP. It has a role as a Mycoplasma genitalium metabolite. It is an adenosine 5'-phosphate, a L-glutamyl ester and a purine ribonucleoside 5'-monophosphate. It is functionally related to an adenosine 5'-monophosphate.
Molecule SMILES: CC(C)NC(=O)N(C)CC1OCCCCC(C)Oc2ccc(NC(=O)c3ccncc3)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: Describe this molecule: <molecule_2d> .

assistant: N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide is an azamacrocycle and a lactam.