General Information of the Compound
Compound ID
CP0453270
Compound Name
6-[3-(4-Oxo-4H-chromen-2-yl)-phenyl]-2-phenyl-chromen-4-one
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Synonyms
BDBM50183246
CHEMBL383336
[6,3'''''']biflavone
[6,3''']biflavone
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Structure
Formula
C30H18O4
Molecular Weight
442.47
Canonical SMILES
O=c1cc(oc2ccccc12)-c1cccc(c1)-c1ccc2oc(cc(=O)c2c1)-c1ccccc1
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InChI
InChI=1S/C30H18O4/c31-25-17-30(33-27-12-5-4-11-23(25)27)22-10-6-9-20(15-22)21-13-14-28-24(16-21)26(32)18-29(34-28)19-7-2-1-3-8-19/h1-18H
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InChIKey
ATBFVHXRFRVXOQ-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: 23661736
SID: 46535225
ChEMBL ID
CHEMBL383336
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 = 16800 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 = 27600 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 = 19900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( [6,3''']biflavone )
Drug Name [6,3''']biflavone
Target(s)
Cytosolic phospholipase A2 (GIVA cPLA2)
Inhibitor