RESVERATROL

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Synonyms
Status
Molecule Category Free-form
UNII Q369O8926L
EPA CompTox DTXSID4031980

Structure

InChI Key LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Smiles Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O3
Molecular Weight 228.25
AlogP 2.97
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1B Cytochrome P450 1B1
- - - 750-800 -
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- - - - 34.8-63.2
Enzyme Hydrolase
- - - - 0.3-36.9
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 50
Enzyme Lyase
- - - 810-950 -
Enzyme Oxidoreductase
- 58.88-996 54 88 6.8-99.6
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A1A subfamily
- - - - 41.1
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 0.6 - - -
Enzyme Transferase
- 250-500 - - -
Enzyme
- 58.88-996 54 810-950 6.8-99.6
Ion channel Voltage-gated ion channel Transient receptor potential channel
- 750-750 - - -3.8-37.5
Membrane receptor
- - - - 30-80.1
Secreted protein
- - 470 - 94
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- - - 785 -
Transcription factor
- - - 169 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 116.68-157.62
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- - - - 10-90
Chromobacterium violaceum
- - - - 70
Cricetulus griseus
- 450 - - 116.68-157.62
Danio rerio
600 - - - -
Electrophorus electricus
- - - - 15.09
Equus caballus
- - - - 36.84
Escherichia coli
- - - - 40
Homo sapiens
- 0.0225-996 54-470 88-950 -3.8-100
Lytechinus variegatus
- - - - 97.9-100
Mus musculus
580 - 500 - 19.4-218.3
Oryctolagus cuniculus
- - - 169 -
Ovis aries
- 380-535 - - 75.2
Photinus pyralis
- 58.88 - - 6.8-99.6
Pseudomonas aeruginosa PAO1
- - - - 59.3
Rattus norvegicus
- 750 - 102-102 26.1-92
Staphylococcus aureus
- - - - 23.42-39.85

Related Entries

Cross References

Resources Reference
ChEBI 45713
ChEMBL CHEMBL165
DrugBank DB02709
FDA SRS Q369O8926L
Human Metabolome Database HMDB0003747
Guide to Pharmacology 8741
KEGG C03582
PDB STL
PharmGKB PA165291838
PubChem 445154
SureChEMBL SCHEMBL19425
ZINC ZINC000000006787
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