General Information of the Compound
Compound ID
CP0454379
Compound Name
(E)2'',4,4''-Trimethoxystilbene
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Structure
Formula
C17H18O3
Molecular Weight
270.328
Canonical SMILES
COc1ccc(\C=C\c2ccc(OC)cc2OC)cc1
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InChI
InChI=1S/C17H18O3/c1-18-15-9-5-13(6-10-15)4-7-14-8-11-16(19-2)12-17(14)20-3/h4-12H,1-3H3/b7-4+
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InChIKey
YHKPITYDEXXGGJ-QPJJXVBHSA-N
Physicochemical Property
logP
3.8828
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
27.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 16737013
SID: 26695232
ChEMBL ID
CHEMBL242396
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: 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 = 4600 nM
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