General Information of the Compound
Compound ID
CP0381515
Compound Name
3-(4-(4-oxo-4H-chromen-2-yl)phenyl)-2-phenyl-4H-chromen-4-one
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Synonyms
BDBM50183244
CHEMBL204948
[3,4'''''']biflavone
[3,4''']biflavone
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Structure
Formula
C30H18O4
Molecular Weight
442.47
Canonical SMILES
O=c1cc(oc2ccccc12)-c1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccccc1
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InChI
InChI=1S/C30H18O4/c31-24-18-27(33-25-12-6-4-10-22(24)25)19-14-16-20(17-15-19)28-29(32)23-11-5-7-13-26(23)34-30(28)21-8-2-1-3-9-21/h1-18H
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InChIKey
DKAAIRCEBVCHAT-UHFFFAOYSA-N
Physicochemical Property
logP
6.9004
Rotatable Bonds
3
Heavy Atom Count
34
Polar Areas
60.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 44410505
ChEMBL ID
CHEMBL204948
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: PT01265, Cytosolic phospholipase A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 8420 nM
   TI
   LI
   LO
   TS
Protein ID: PT02151, Group 10 secretory phospholipase A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05652, Phospholipase A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00906, Phospholipase A2, membrane associated
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 23200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [3,4''']biflavone )
Drug Name [3,4''']biflavone
Target(s)
Cytosolic phospholipase A2 (GIVA cPLA2)
Inhibitor