General Information of the Compound
Compound ID
CP0306010
Compound Name
4,3',5'-tri-O-methylpiceatannol
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Synonyms
(E) -3'-hydroxy-3,5,4'-Trimethoxystilbene
(E)-3'-Hydroxy-3,5,4'-trimethoxystilbene
(E)-5-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol
108957-73-9
4,3'',5''-tri-O-methylpiceatannol
4,3',5'-Tri-O-methylpiceatannol
5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol
5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
AC-24233
AC1NTOCZ
AKOS015914978
AN-33692
BDBM50332182
CHEMBL419378
MolPort-019-990-180
NSC-381864
NSC381864
SCHEMBL1743353
SCHEMBL1743354
UQIWTPQGJCCTPA-SNAWJCMRSA-N
ZINC1591410
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Structure
Formula
C17H18O4
Molecular Weight
286.327
Canonical SMILES
COc1cc(OC)cc(\C=C\c2ccc(OC)c(O)c2)c1
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InChI
InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+
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InChIKey
UQIWTPQGJCCTPA-SNAWJCMRSA-N
CAS
108957-73-9
Physicochemical Property
logP
3.5884
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
47.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 5385086
SID: 16290723
ChEMBL ID
CHEMBL419378
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: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5480 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NSC-381864 )
Drug Name NSC-381864
Target(s)
Quinone reductase 2 (NQO2)
 Target Info 
Inhibitor