General Information of the Compound
Compound ID
CP0059655
Compound Name
(oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,3-diol
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Synonyms
(E)-4-(3,5-Dihydroxystyryl)benzene-1,3-diol
1,3-Benzenediol, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-
2,3',4,5'-Tetrahydroxystilbene
29700-22-9
4-(3,5-Dihydroxystyryl)benzene-1,3-diol
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,3-diol
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
4721-07-7
6V071CP5CR
AK158555
CHEBI:7870
CHEMBL43065
J-501984
OXYLRESVERATROL
OXYRESVERATROL
Oxyresveratrol
Puag-haad
Tetrahydroxystilbene
UNII-6V071CP5CR
trans-oxyresveratrol
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Structure
Formula
C14H12O4
Molecular Weight
244.246
Canonical SMILES
Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
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InChI
InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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InChIKey
PDHAOJSHSJQANO-OWOJBTEDSA-N
CAS
4721-07-7
29700-22-9
Physicochemical Property
logP
2.6794
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
80.92
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 5281717
SID: 14847544
ChEMBL ID
CHEMBL43065
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: 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 ~ 18356.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT06670, Synaptojanin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 <= 15900 nM
   TI
   LI
   LO
   TS
Protein ID: PT06669, Synaptojanin-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 6650 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( OXYRESVERATROL )
Drug Name OXYRESVERATROL
Target(s)
Tyrosinase (TYR)
Inhibitor