IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: C=C(CCC(C)C1CCC2(O)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)C1CC3=O)C(C)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: (2R,6R)-6-[(4S,5S,10S,13R,14S,17R)-14-hydroxy-4,10,13-trimethyl-3,7,11-trioxo-2,4,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid is a natural product found in Taiwanofungus camphoratus and Antrodia cinnamomea with data available.
Molecule SMILES: [PH]

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: Hydridophosphorus(.) (triplet) is a phosphorus hydride.
Molecule SMILES: CC(=O)NC1C(OC2C(CO)OC(O)C(N)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: Please give me some details about this molecule <molecule_2d> .

assistant: N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-glucosamine is the beta-anomer of N-acetyl-beta-D-glucosaminyl-(1->4)-D-glucosamine.
Molecule SMILES: O=c1c(-c2ccc(O)cc2)coc2c(Cl)c(O)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: Tell me something about this molecule: <molecule_2d>

assistant: 8-Chlorogenistein is a natural product found in Actinoplanes and Streptomyces griseus with data available.
Molecule SMILES: CC(=O)C1CCC2C3CC=C4CC(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: Describe this molecule: <molecule_2d> .

assistant: 1-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone is a natural product found in Botrytis cinerea with data available.
Molecule SMILES: CC1=C2N=C(C=C3N=C(C(C)=C4[N-]C(C)(C5N=C1C(C)(CCC(=O)NCC(C)OP(=O)([O-])OC1C(CO)OC(n6cnc7cc(C)c(C)cc76)C1O)C5CC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O.[CH3-].[Co+3]

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: Mecobalamin is a synthetic and active form of vitamin B12 that can cross the blood brain barrier without biotransformation, that may be used to treat or prevent vitamin B12 deficiency and its complications. Upon administration, mecobalamin is able to replace endogenous vitamin B12, increase vitamin B12 levels and improve vitamin B12 deficiency. Vitamin B12 is necessary for hematopoiesis, neural metabolism, DNA and RNA production, and carbohydrate, fat, and protein metabolism. It improves iron functions in the metabolic cycle and assists folic acid in choline synthesis. Its metabolism is interconnected with that of folic acid.
Molecule SMILES: CCC=CCC(O)C=CC1C(O)CC(=O)C1CCCCCCC(=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: D17 PGE1 is a prostanoid.
Molecule SMILES: C=C(c1ccc2c(c1)NC(=O)C2=O)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: Please give me some details about this molecule <molecule_2d> .

assistant: 6-(3-methylbut-1-en-2-yl)-1H-indole-2,3-dione is a natural product found in Streptomyces albus with data available.
Molecule SMILES: CCC(C=CC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)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: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: (8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol is a natural product found in Aegiphila verticillata with data available.
Molecule SMILES: CC(=O)OC1CCC(C)(C)C2C(O)C3(O)OCC12C1CCC2C(CO)C(=O)C13C2O

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: [9,10,18-Trihydroxy-6-(hydroxymethyl)-12,12-dimethyl-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate is a natural product found in Isodon excisoides with data available.
Molecule SMILES: COC=CC(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: L-2-amino-4-methoxy-cis-but-3-enoic acid is a dehydroamino acid. It is functionally related to a L-alpha-aminobutyric acid.
Molecule SMILES: COC1=C(C)C(=O)c2c(O)cc(O)cc2C1=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: 2-O,3-dimethylflaviolin is a member of the class of naphthoquinones that is 2-O-methylflaviolin in which the hydrogen at position 3 is replaced by a methyl group. It has a role as a bacterial metabolite. It is a member of phenols, an enol ether and a hydroxy-1,4-naphthoquinone. It is functionally related to a flaviolin. It is a conjugate acid of a 2-O,3-dimethylflaviolin-7-olate.
Molecule SMILES: CCC(C)C1NC(=O)C(N)Cc2ccc(O)c(c2)-c2cc3cc(c2O)Oc2ccc(cc2)CC(C(=O)O)NC(=O)C(C3)NC1=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: (14S,17S,20R,23R)-14-amino-17-[(2S)-butan-2-yl]-9,32-dihydroxy-15,18,21-trioxo-2-oxa-16,19,22-triazapentacyclo[23.2.2.13,7.15,20.18,12]dotriaconta-1(27),3,5,7(32),8,10,12(31),25,28-nonaene-23-carboxylic acid is a natural product found in Streptomyces with data available.
Molecule SMILES: CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5(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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol is a natural product found in Ophiopogon japonicus with data available.
Molecule SMILES: Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)no1

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-[[3-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide is a member of triazoles.
Molecule SMILES: CC1C(=O)OC2C3=C(C(=O)CC3(C)O)C(C)(O)CCC12

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,3aR,6R,9S,9bS)-6,9-dihydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-2,7-dione is a natural product found in Artemisia sieversiana with data available.
Molecule SMILES: CC(C=CC=C(C)C=Cc1ccc(C)c(C)c1C)=CC=CC=C(C)C=CC=C(C)C(O)=CC(=O)C1(C)CC(O)CC1(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: Trikentriorhodin is a natural product found in Clathria prolifera and Acanthella acuta with data available.
Molecule SMILES: O=C1CCC23Oc4ccc(O)c5c4C(Oc4cccc1c42)(O3)C1OC1C5=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: Preussomerin H is a natural product found in Microsphaeropsis and Lasiodiplodia theobromae with data available.
Molecule SMILES: COC1=CC(=O)CCC1(O)CC=Cc1ccccc1

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: (4S)-4-hydroxy-3-methoxy-4-[(E)-3-phenylprop-2-enyl]cyclohex-2-en-1-one is a natural product found in Dalbergia sissoo with data available.
Molecule SMILES: CCCCC=CCc1[nH]c2ccccc2c(=O)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 provide a description of this molecule <molecule_2d> ?

assistant: 2-(2-Heptenyl)-3-methyl-4(1H)-quinalone is a natural product found in Burkholderia cepacia with data available.
Molecule SMILES: CCC(=O)Nc1ccc2c(c1)OCC(C)N(Cc1ccccc1)CC(C)C(OC)CN(C)C2=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: N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(phenylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide is a lactam and an azamacrocycle.
Molecule SMILES: C=C(CCC(C)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CCC(OC(=O)CC(C)(O)CC(=O)O)C(C)(C)C1CC3)C(C)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: Could you provide a description of this molecule <molecule_2d> ?

assistant: (25S)-24-Methylene-3alpha-[(S)-3-methyl-3-hydroxy-4-carboxybutyryloxy]-12alpha-hydroxylanosta-8-ene-26-oic acid is a natural product found in Fomitopsis betulina with data available.
Molecule SMILES: CC(=O)OC1CC(C)=CC2OC(=O)C3(C)OC23C(OC(C)=O)C2C(C)(O)C(OC(C)=O)C=CC2(C)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: [(1S,2S,3S,4S,5R,8S,9S,10R,14S,17R)-2,5-diacetyloxy-4,9-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-10-yl] acetate is a natural product found in Pachyclavularia and Briareum with data available.
Molecule SMILES: CC1C(=O)CC(O)C2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C

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: 1beta-hydroxyfriedelin is a pentacyclic triterpenoid that is friedelin substituted by a beta-hydroxy group at position 1. It has been isolated from the leaves of Garcia parviflora. It has a role as a plant metabolite. It is a cyclic terpene ketone and a pentacyclic triterpenoid. It is functionally related to a friedelin.
Molecule SMILES: CC1C(=O)CC(O)C2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C)CCC3(C)CCC12C

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: 1Beta-Hydroxyfriedelin is a natural product found in Polyporus umbellatus with data available.
Molecule SMILES: CC=C(C)C(=O)OC(C)C(C)C(=O)OC1C(OC(=O)C(C)=CC)COC(OC2C(OC(C)=O)C3(COC(C)=O)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)OCC)C(O)C(OC8OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C8OC(C)=O)C7OC7OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C7OC(C)=O)C(C)(C)C6CCC54C)C3CC2(C)C)C1OC(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: Petersaponin I is a natural product found in Petersianthus macrocarpus with data available.
Molecule SMILES: C=C1c2ccoc2CC2C1CCC1C(CO)(C(=O)O)CCCC21C

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,4aS,6aS,11aS,11bR)-4-(hydroxymethyl)-11b-methyl-7-methylidene-2,3,4a,5,6,6a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylic acid is a natural product found in Dupuya madagascariensis with data available.
Molecule SMILES: NCC(=O)[O-].NCC(=O)[O-].[Zn+2]

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: Glycoprotein marker of gastrointestinal cancer.
Molecule SMILES: COc1cc(C(=O)OC2C3CC4OCC(O)(C2O)C3C(OC2OC(CO)C(O)C(O)C2O)O4)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> The above is a compound. Could you please tell me something about it?

assistant: Pikuroside is a natural product found in Salvinia molesta, Picrorhiza kurrooa, and other organisms with data available.
Molecule SMILES: Oc1cc2c3c(c1O)N=CC=3CCN=2

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: damirone C is a natural product found in Zyzzya fuliginosa and Didymium iridis with data available.
Molecule SMILES: CC(C)c1cc(C(=O)O)c2c(c1O)OC1(O)C(C)(C)CCCC21C

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: (5aR,9aR)-4,5a-dihydroxy-6,6,9a-trimethyl-3-propan-2-yl-8,9-dihydro-7H-dibenzofuran-1-carboxylic acid is a natural product found in Salvia montbretii and Salvia munzii with data available.
Molecule SMILES: CCCN1CC(C)C(OC)CN(C)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2OCC1C

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-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide is a lactam and an azamacrocycle.
Molecule SMILES: CN(C)C.O=C(O)COc1cc(Cl)c(Cl)cc1Cl

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: Any of a group of ammonium salts of 2,4,5-trichlorophenoxyacetate, including the 1-ammonium-2-propanol salt, the triethylammonium salt, the triethanolammonium salt, the trimethylammonium salt, and the dimethylammonium salt.
Molecule SMILES: COc1cc2c(c(OC)c1-c1c(C)cc3cccc(OC)c3c1O)C(C)=NC(C)C2

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: CID 14707496 is a natural product found in Ancistrocladus heyneanus with data available.
Molecule SMILES: CC(=O)OC1CC2(COC(=O)C2)OC2(C)CC(OC(=O)c3ccccc3)C3(C)C(C)C(=O)CCC3C12C

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: Scuterivulactone B is a natural product found in Scutellaria barbata with data available.
Molecule SMILES: O=C([O-])C=Cc1ccccc1OC1OC(CO)C(O)C(O)C1O

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

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

assistant: Trans-beta-D-glucosyl-2-hydroxycinnamate is the conjugate base of trans-beta-D-glucosyl-2-hydroxycinnamic acid; major species at pH 7.3. It is a conjugate base of a trans-beta-D-glucosyl-2-hydroxycinnamic acid.
Molecule SMILES: O=C(O)CCCCCCCC=CCC=CCCCCCO

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: 18-hydroxylinoleic acid is an omega-hydroxy fatty acid that is linoleic acid in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. It has a role as a fungal metabolite and a human xenobiotic metabolite. It is a polyunsaturated fatty acid and an omega-hydroxy-long-chain fatty acid. It is functionally related to a linoleic acid. It is a conjugate acid of a 18-hydroxylinoleate.
Molecule SMILES: O=C(O)CCCCCCCC=CCC=CCCCCCO

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: 18-Hydroxylinoleic acid is a natural product found in Arabidopsis thaliana with data available.
Molecule SMILES: CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]

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: Warfarin sodium is a slightly bitter crystalline powder. An anticoagulant used as a rodenticide. (EPA, 1998)
Molecule SMILES: CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+]

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: Warfarin Sodium is the sodium salt form of warfarin, a coumarin and a vitamin K antagonist, with anticoagulant activity. Warfarin sodium inhibits both vitamin K and vitamin K epoxide reductases, thereby interfering with the cyclic interconversion of vitamin K epoxide to its reduced form, vitamin KH2. Vitamin KH2 is a cofactor for the carboxylation of glutamate residues on the N-terminal regions of vitamin K-dependent proteins.  As a result, maturation of vitamin K-dependent coagulation factors II, VII, IX, and X and anticoagulant proteins C and S is inhibited. Without these coagulation factors, thrombogenesis and blood clot formation are prevented.
Molecule SMILES: Oc1ccc(-c2ccc(O)cc2)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: Biphenyl-4,4'-diol is a member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'. It derives from a hydride of a biphenyl.
Molecule SMILES: CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(=CCC3C3COC(O)(C(C)(C)O)C(O)C3)C12C

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: [(5R,7R,8R,9R,10R,13S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate is a natural product found in Azadirachta indica with data available.
Molecule SMILES: CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

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: Seliciclib is 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor and an antiviral drug.
Molecule SMILES: CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

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: R-roscovitine (Seliciclib or CYC202) is a cyclin-dependent kinase (CDK) inhibitor that preferentially inhibits multiple enzyme targets including CDK2, CDK7 and CDK9, which alter the growth phase of treated cells. Developed by Cyclacel, seliciclib is being researched for the treatment of non-small cell lung cancer (NSCLC), leukemia, HIV infection, herpes simplex infection, and the mechanisms of chronic inflammation disorders.
Molecule SMILES: CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

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: Seliciclib is an orally available small molecule and cyclin-dependent kinase (CDK) inhibitor with potential apoptotic and antineoplastic activity. CDKs, serine/threonine kinases that play an important role in cell cycle regulation, are overexpressed in various malignancies. Seliciclib primarily inhibits CDK 2, 7, and 9 by competing for the ATP binding sites on these kinases, leading to a disruption of cell cycle progression. In addition, this agent seems to interfere with CDK-mediated phosphorylation of the carboxy-terminal domain of RNA polymerase II, thereby inhibiting RNA polymerase II-dependent transcription. This may lead to the down-regulation of anti-apoptotic factors, such as myeloid cell leukemia sequence 1 (Mcl-1), a protein crucial for the survival of a range of tumor cell types. The down-regulation of anti-apoptotic factors may lead to an induction of apoptosis, thereby further contributing to seliciclib's antiproliferative effects.
Molecule SMILES: CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

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: Seliciclib is a natural product found in Ophioparma ventosa with data available.
Molecule SMILES: C=C1C(=O)OC2CC(COC(C)=O)=CCCC(CO)=CC(OC(=O)C(C)C(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: Provide a brief overview of this molecule <molecule_2d> .

assistant: [(3aR,4R,5Z,9Z,11aS)-10-(acetyloxymethyl)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3S)-3-hydroxy-2-methylbutanoate is a natural product found in Dicoma anomala with data available.
Molecule SMILES: CC(Nc1ncnc2[nH]c(-c3ccc(O)cc3)cc12)c1ccccc1

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: EGFR/HER1/HER2 Inhibitor PKI166 is a pyrrolo-pyrimidine epidermal growth factor receptor (EGFR) protein kinase inhibitor with anti-tumor activity. PKI-166 reversibly inhibits HER1 and HER2 tyrosine kinases, belong to the epidermal growth factor receptor family, thereby inhibiting tumor growth and metastasis.
Molecule SMILES: Cn1cnc(S(=O)(=O)NC2CCC(CC(=O)Nc3ccc(-c4ccccc4)cc3)OC2CO)c1

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

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

assistant: 2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]-N-(4-phenylphenyl)acetamide is a member of biphenyls.
Molecule SMILES: CC1=C2CC(C(C)(C)O)CCC(C)C2CC1=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: Hydrocolorenone is a natural product found in Haplopappus foliosus with data available.