General Information of the Compound
Compound ID
CP0041805
Compound Name
(E)-resveratrol
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Synonyms
(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol
CU-01000001503-3
Cis-resveratrol
KSC-10-164
KUC104385N
PREVENTION 8 (RESVERATROL)
R 5010
RM-1812
Resveratrol
Resveratrol-3-sulfate
Resvida
SRT 501
SRT-501
Trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene
Trans-3,4′,5-Trihydroxystilbene
Trans-3,4',5-trihydroxystilbene
Trans-resveratrol
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Structure
Formula
C14H12O3
Molecular Weight
228.247
Canonical SMILES
Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
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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+
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InChIKey
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
CAS
501-36-0
31100-06-8
Physicochemical Property
logP
2.9738
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
60.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 445154
SID: 14822845
ChEMBL ID
CHEMBL165
DrugBank ID
DB02709
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 449 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4540 nM
2 IC50 = 15700 nM
3 IC50 = 17410 nM
4 IC50 = 18630 nM
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000828 HL60/MDR Homo sapiens (Human)  2
1
AC50 > 100000 nM
   TI
   LI
   LO
   TS
2
IC50 = 60000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01002, Cytochrome P450 1A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01049, Cytochrome P450 2C19
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00905, Cytochrome P450 2C9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 7000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00986, Cytochrome P450 3A4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20000 nM
2 Potency = 3981.1 nM
Protein ID: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
Ki = 785 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 32642.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 23200 nM
   TI
   LI
   LO
   TS
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 5400 nM
   TI
   LI
   LO
   TS
Protein ID: PT04197, Ornithine decarboxylase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 19000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL Homo sapiens (Human)  1
1
IC50 = 4900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 18492.7 nM
   TI
   LI
   LO
   TS
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
2
IC50 = 750 nM
   TI
   LI
   LO
   TS
3
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  4
1
IC50 = 750 nM
   TI
   LI
   LO
   TS
2
IC50 = 1400 nM
   TI
   LI
   LO
   TS
3
IC50 = 2740 nM
   TI
   LI
   LO
   TS
4
IC50 = 19900 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 = 52500 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  2
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
2
IC50 = 87600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Resveratrol )
Drug Name Resveratrol
Company Sirtris Pharma
Indication
Giant cell arteritis
Phase 3
Rheumatoid arthritis
Phase 3
Systemic sclerosis
Phase 3
Colorectal cancer
Discontinued in Phase 2
Target(s)
Prostaglandin G/H synthase 1 (COX-1)
Modulator
NAD-dependent deacetylase sirtuin-1 (SIRT1)
Inhibitor
Drug 2 ( Resveratrol )
Drug Name Resveratrol
Company Sirtris Pharma
Indication
Middle East Respiratory Syndrome (MERS)
Preclinical