General Information of the Compound
Compound ID
CP0532864
Compound Name
Di-O-Methylcurcumin
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Structure
Formula
C23H24O6
Molecular Weight
396.439
Canonical SMILES
COc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1OC
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InChI
InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-14H,15H2,1-4H3/b9-5+,10-6+
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InChIKey
HMJSBVCDPKODEX-NXZHAISVSA-N
Physicochemical Property
logP
3.9759
Rotatable Bonds
10
Heavy Atom Count
29
Polar Areas
71.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 9952605
SID: 14927977
ChEMBL ID
CHEMBL261295
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 = 16600 nM
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