General Information of the Compound
Compound ID
CP0458337
Compound Name
2-(2,4-dimethoxyphenyl)-6-(4-oxo-2-phenyl-4H-chromen-7-yloxy)-4H-chromen-4-one
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Structure
Formula
C32H22O7
Molecular Weight
518.521
Canonical SMILES
COc1ccc(c(OC)c1)-c1cc(=O)c2cc(Oc3ccc4c(c3)oc(cc4=O)-c3ccccc3)ccc2o1
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InChI
InChI=1S/C32H22O7/c1-35-20-8-12-24(30(15-20)36-2)32-18-27(34)25-14-21(10-13-28(25)38-32)37-22-9-11-23-26(33)17-29(39-31(23)16-22)19-6-4-3-5-7-19/h3-18H,1-2H3
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InChIKey
JMIPMNPRGHONKM-UHFFFAOYSA-N
Physicochemical Property
logP
7.0429
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
88.11
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
39

"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: 44569817
ChEMBL ID
CHEMBL460598
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: PT01062, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 2000 nM
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