IDEA-AI4S/PubChemSFT huggingface dataset:
Molecule SMILES: CC(=O)OC1C2C(OC(C)=O)C34OC2(C)COC(=O)c2cnccc2C(C)C(C)(O)C(=O)OC(C(OC(C)=O)C(OC(C)=O)C3(COC(=O)c2ccoc2)C1OC(C)=O)C4(C)O

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: [(1R,3R,13R,14R,17R,18R,19R,20S,21R,22S,23S,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate is a natural product found in Tripterygium hypoglaucum and Tripterygium wilfordii with data available.
Molecule SMILES: COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)OC(O)CC12

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: methyl (1S,3S,4aS,8S,8aS)-3-hydroxy-1-methyl-8-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,4a,8,8a-hexahydropyrano[3,4-c]pyran-5-carboxylate is a natural product found in Chione venosa with data available.
Molecule SMILES: CC=Cc1ccc2n(c1=O)CC1C(CO)C(C(=O)Nc3nccs3)N(Cc3cc(F)ccc3F)C21

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-14612 is an amino acid amide.
Molecule SMILES: CCC1(C)OC(=O)c2c1cc(OC(=O)c1c(C)cc(O)cc1O)c(C)c2O

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: Asperlide is a natural product found in Aspergillus unguis with data available.
Molecule SMILES: COC(=O)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2C(C)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: I'd like a short overview about this molecule <molecule_2d>. Can you do that?

assistant: methyl (1R,4aS,5S,7S,7aR)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate is a natural product found in Phlomoides rotata with data available.
Molecule SMILES: CCCCC(=O)NC(=S)NNC(=O)CCc1ccccc1

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

user: Provide a brief overview of this molecule <molecule_2d> .

assistant: N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]pentanamide is a fatty amide.
Molecule SMILES: COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(C)C(O)C(O)C2O)cc1O

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: Mearnsetin 3-rhamnoside; Myricetin 4'-methyl ether-3-O-rhamnoside is a natural product found in Acacia mearnsii, Acacia dealbata, and other organisms with data available.
Molecule SMILES: O=C1C=CC2(CC(O)C(c3ccccc3)O2)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: (+)-crassalactone D is a natural product found in Marsypopetalum crassum and Marsypopetalum modestum with data available.
Molecule SMILES: C=C1C(=O)OC2CC(C)C(CCC(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: 4H-Tomentosin is a natural product found in Carpesium macrocephalum with data available.
Molecule SMILES: CC=C1NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CN)NC(=O)CC(CCCCCC(C)C)OC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CN)NC(=O)C(C(C)O)NC1=O

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: Isopedopeptin E is a natural product found in Pedobacter cryoconitis with data available.
Molecule SMILES: C=CC1(C)C=C2CCC3C(C)(C)CCC(O)C3(C)C2C(O)C1

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: 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-4,5-diol is a natural product found in Eria marginata with data available.
Molecule SMILES: COC1CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OCC(C)N(CC2CCOCC2)CC1C

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-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-(4-oxanylmethyl)-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide is an azamacrocycle and a lactam.
Molecule SMILES: O=C(O)C(O)C(Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1O)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 give me a brief overview of this molecule <molecule_2d> ?

assistant: Shoyuflavone C is a member of isoflavones.
Molecule SMILES: COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)COc1ccc(C)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> The above is a compound. Could you please tell me something about it?

assistant: N-[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]-2-(4-methylphenoxy)acetamide is a ring assembly and a member of pyridazines.
Molecule SMILES: CCCCCc1cc(OC(=O)c2c(CCCCC)cc(OC)cc2OC)cc(OC)c1C(=O)O

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

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

assistant: Planaic acid is a carbonyl compound.
Molecule SMILES: Cc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=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: Cryptostrobin is a natural product found in Pinus devoniana, Thelypteris palustris, and other organisms with data available.
Molecule SMILES: CC(C)=CCOC(C)(C)C1OC2CCC3(C)C4(C)c5[nH]c6ccccc6c5CC4CCC3(O)C23OC3C1O

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: (1R,2R,5S,7S,8R,9R,11S,12S,15S)-1,2-dimethyl-7-[2-(3-methylbut-2-enoxy)propan-2-yl]-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol is a natural product found in Albophoma yamanashiensis with data available.
Molecule SMILES: COc1c(O)ccc2c(=O)oc3c(Cl)c(CO)c(Cl)c(O)c3c(=O)c12

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

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

assistant: 2,4-Dichloro-1,9-dihydroxy-3-(hydroxymethyl)-10-methoxydibenzo[b,e]oxepine-6,11-dione is a natural product found in Torula with data available.
Molecule SMILES: CC1OC(OC2C(Oc3c(-c4cccc(O)c4)oc4cc(O)cc(O)c4c3=O)OC(CO)C(O)C2O)C(O)C(O)C1O

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

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxyphenyl)chromen-4-one is a natural product found in Costus spicatus with data available.
Molecule SMILES: CC(=O)OCC=CC#CC#CC=CC=CC(CCOC(C)=O)OC(C)=O

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

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

assistant: [(3R,4E,6E,12E)-3,14-diacetyloxytetradeca-4,6,12-trien-8,10-diynyl] acetate is a natural product found in Rhaponticoides ruthenica with data available.
Molecule SMILES: CC(=O)C1OC(OC2=NC(=O)C3CC=CCC23)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: Tell me something about this molecule: <molecule_2d>

assistant: Captan GlcA is a member of isoindoles.
Molecule SMILES: CN(Cc1ccccc1)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)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: N-methyl-N-(phenylmethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxamide is a member of piperidines.
Molecule SMILES: CC1=NC(C(=O)O)CCN1

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: 2-Methyl-4-carboxy-3,4,5,6-tetrahydropyrimidine is a natural product found in Streptomyces albidoflavus and Streptomyces coelicolor with data available.
Molecule SMILES: COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)CC(OC)C(C)CNC(C)CO3)cc1

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-(4-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea is a lactam and an azamacrocycle.
Molecule SMILES: C=C1C(OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C(C)(C)C=CC(C)C(=O)C2(O)CC(C)(OC(C)=O)C(O)C2C1OC(=O)C(C)CC

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: [(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aR)-2,9,10-triacetyloxy-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-[(2R)-2-methylbutanoyl]oxy-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate is a natural product found in Euphorbia dendroides with data available.
Molecule SMILES: C=C1CCC2=C(CO)C(=O)OC2C=C(C)C(OC(C)=O)CC1OC(C)=O

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

user: <molecule_2d> The above is a compound. Could you please tell me something about it?

assistant: [(7S,9S,10E,11aR)-7-acetyloxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate is a natural product found in Achillea fragrantissima with data available.
Molecule SMILES: CCOc1ccc(CCNC(=O)Cc2ccccc2)cc1OCC

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: N-[2-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide is a member of acetamides.
Molecule SMILES: COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)C1C=COC1O4

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: (3R,7S)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one is a natural product found in Aspergillus versicolor with data available.
Molecule SMILES: CC1CCC(O)C23CC4C(CC12C)C4(C)C3

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: 5,6,9-Trimethyltetracyclo[7.2.1.01,6.08,10]dodecan-2-ol is a natural product found in Aristolochia with data available.
Molecule SMILES: O=C(O)C=C(c1coc2cc(O)ccc2c1=O)C(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: Tell me something about this molecule: <molecule_2d>

assistant: 4-Hydroxy-3-(7-hydroxy-4-oxochromen-3-yl)hex-2-enedioic acid is a natural product found in Aspergillus oryzae with data available.
Molecule SMILES: COC1=CC(=O)C2(C(Cl)CC34NCCC32CC(=O)C(OC)=C4OC)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: Dauricumidine is a natural product found in Hypserpa nitida and Menispermum dauricum with data available.
Molecule SMILES: CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CCC(O)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: 7-hydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-4,10,13-triene-3,19-dione is a member of isoindoles.
Molecule SMILES: COc1cc(C=CC(=O)OCC23CCC4(C(=O)O)CCC(C)C(C)C4C2=CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)ccc1O

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: 3beta-Hydroxy-27-(3-methoxy-4-hydroxy-trans-cinnamoyloxy)urs-12-ene-28-oic acid is a natural product found in Uncaria rhynchophylla with data available.
Molecule SMILES: CC=C(C=C(C)C=CCCC=C(C)C(=O)C12OC1C(C)(O)NC2=O)C(=O)OC

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: methyl (2E,3E,5E,9E)-2-ethylidene-11-(4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl)-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate is a natural product found in Penicillium with data available.
Molecule SMILES: CCC(O)C=CC(O)C1CC(O)C(CC=CCC=CCC=CCCC(=O)O)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: Delta18-13-NeuroF is a long-chain fatty acid.
Molecule SMILES: C[NH+]1C=CC=C(C(=O)[O-])C1

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: 1-methyl-2H-pyridine-3-carboxylic acid is a natural product found in Trigonella foenum-graecum with data available.
Molecule SMILES: O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3-c3ccc(O)cc3)OC(COC(=O)C=Cc3ccc(O)c(O)c3)C(O)C2O)C(O)C(O)C1O

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

user: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: [(2S,3S,4S,5R,6S)-6-[(2S,3S,4S,5S,6S)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a natural product found in Raphanus sativus and Ipomoea purpurea with data available.
Molecule SMILES: COc1ccccc1NC(=O)NC1CCC(CCn2cc(-c3cccnc3)nn2)OC1CO

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: 1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(2-methoxyphenyl)urea is a C-glycosyl compound.
Molecule SMILES: OCCC1NC(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: Given the molecule <molecule_2d>, what can you tell me about it?

assistant: (2R,3S,4S,5S)-2-(2-hydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol is a natural product found in Scilla siberica and Hyacinthus orientalis with data available.
Molecule SMILES: C#CCCCCCCCCCCCCCC=C1C(=O)OC(C)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: (3E,4R,5S)-3-hexadec-15-ynylidene-4-hydroxy-5-methyloxolan-2-one is a natural product found in Mezilaurus mahuba with data available.
Molecule SMILES: CC(=O)OC1CC(O)C2(CO2)C2(C)C(O)CC(C)C(C)(CC(O)c3ccoc3)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: [(1R,3S,4R,4aS,5S,7R,8S,8aR)-8-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3,5-dihydroxy-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-1-yl] acetate is a natural product found in Cornutia pyramidata with data available.
Molecule SMILES: COC(=O)CC1CC=CC(=O)OC(C(C)C(O)C(C)=CC=CC(C)=Cc2coc(C)n2)CC(O)C2(C)OC2C=CC(C)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: <molecule_2d> What do you know about the molecule?

assistant: methyl 2-[(1R,2S,4S,7E,10R,12R,13R,14E,16R)-2,12-dihydroxy-4-[(2R,3R,4E,6E,8E)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate is a natural product found in Rhizopus microsporus with data available.
Molecule SMILES: CCC=CCC1C(=O)CCC1CC(=O)NC(Cc1c[nH]c2ccccc12)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: (2S)-3-(1H-indol-3-yl)-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]propanoic acid is a natural product found in Vicia faba with data available.
Molecule SMILES: Cc1[nH]c2ccccc2c1C=CC(=O)c1ccncc1

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-(2-methyl-1H-indol-3-yl)-1-pyridin-4-yl-2-propen-1-one is a member of indoles.
Molecule SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)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: Fingolimod is an orally available immunomodulatory drug used to treat relapsing multiple sclerosis. Fingolimod is associated with transient serum enzyme elevations during therapy and with rare instances of clinically apparent, acute liver injury that can be severe and even fatal.
Molecule SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)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: Fingolimod is an aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. It has a role as an immunosuppressive agent, a prodrug, an antineoplastic agent, a sphingosine-1-phosphate receptor agonist and a CB1 receptor antagonist. It is an aminodiol and a primary amino compound. It is a conjugate base of a fingolimod(1+).
Molecule SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)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: Multiple sclerosis, or MS, is a devastating inflammatory disease that often progresses and causes severe neurological, physical, and cognitive effects. Fingolimod is a sphingosine 1-phosphate receptor modulator for the treatment of relapsing-remitting multiple sclerosis. It was developed by Novartis and initially approved by the FDA in 2010. Fingolimod was also studied for the treatment of COVID-19, the disease caused by infection with the SARS-CoV-2 virus.
Molecule SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)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: Fingolimod is a Sphingosine 1-phosphate Receptor Modulator. The mechanism of action of fingolimod is as a Sphingosine 1-Phosphate Receptor Modulator.
Molecule SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)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: Fingolimod is an orally available derivate of myriocin and sphingosine-1-phosphate receptor 1 (S1PR1, S1P1) modulator, with potential anti-inflammatory and immunomodulating activities. Upon oral administration, fingolimod, as a structural analogue of sphingosine, selectively targets and binds to S1PR1 on lymphocytes and causes transient receptor activation followed by S1PR1 internalization and degradation. This results in the sequestration of lymphocytes in lymph nodes. By preventing egress of lymphocytes. fingolimod reduces both the amount of circulating peripheral lymphocytes and the infiltration of lymphocytes into target tissues. This prevents a lymphocyte-mediated immune response and may reduce inflammation. S1PR1, a G-protein coupled receptor, plays a key role in lymphocyte migration from lymphoid tissues. Fingolimod also shifts macrophages to an anti-inflammatory M2 phenotype, and modulates their proliferation, morphology, and cytokine release via inhibition of the transient receptor potential cation channel, subfamily M, member 7 (TRPM7).
Molecule SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)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: Fingolimod is a natural product found in Isaria sinclairii with data available.
Molecule SMILES: CCCCCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23

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: 5-heptyl-4-hydroxy-6H-pyrido[3,2,1-jk]carbazol-6-one is a member of carbazoles.
Molecule SMILES: C=CC(C)(O)CCC1C(C)=CCC(Br)C1(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: (3S)-5-[(1S,5S)-5-bromo-2,6,6-trimethylcyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol is a natural product found in Laurencia obtusa and Laurencia dendroidea with data available.
Molecule SMILES: C=C1C2CCC3C(O)C2(CC(O)C2(O)C1C(O)C(OC1OC(CO)C(O)C(O)C1O)C2(C)C)CC3(C)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: 5,5,14-Trimethyl-9-methylidene-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,7,14,16-pentol is a natural product found in Rhododendron molle with data available.