General Information of the Compound
Compound ID
CP0565560
Compound Name
2-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
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Structure
Formula
C16H16O3
Molecular Weight
256.301
Canonical SMILES
COc1ccc(\C=C\c2ccc(O)c(OC)c2)cc1
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InChI
InChI=1S/C16H16O3/c1-18-14-8-5-12(6-9-14)3-4-13-7-10-15(17)16(11-13)19-2/h3-11,17H,1-2H3/b4-3+
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InChIKey
ZKUMABYNEXJCQP-ONEGZZNKSA-N
Physicochemical Property
logP
3.5798
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
38.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 23652110
SID: 46523970
ChEMBL ID
CHEMBL3959000
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 = 3700 nM
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