General Information of the Compound
Compound ID
CP0042548
Compound Name
(E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol
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Synonyms
(E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol
1,2-Benzenediol, 4-(2-(3,5-dihydroxyphenyl)ethenyl)-
10083-24-6
3,3',4'5-Tetrahydroxystilbene
3,3',4,5'-Stilbenetetrol
3,3',4,5'-Tetrahydroxystilbene
3,5,3',4'-Tetrahydroxystilbene
3-Hydroxyresveratol
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol
4339-71-3
6KS3LS0D4F
C14H12O4
CHEBI:28814
CHEMBL69863
NSC 365798
NSC 622471
NSC-365798
NSC365798
NSC622471
Piceatannol
UNII-6KS3LS0D4F
astringinin
piceatannol
piceatanol
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Structure
Formula
C14H12O4
Molecular Weight
244.246
Canonical SMILES
Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
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InChI
InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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InChIKey
CDRPUGZCRXZLFL-OWOJBTEDSA-N
CAS
4339-71-3
10083-24-6
21100-92-5
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: 667639
SID: 15196529
ChEMBL ID
CHEMBL69863
DrugBank ID
DB08399
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 ~ 23109.3 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 = 240 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 = 23280.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Piceatannol )
Drug Name Piceatannol
Target(s)
Interferon regulatory factor 3 (IRF3)
Inhibitor