Details of the Drug

General Information of Drug (ID: DM7JSQL)

Drug Name

[4',4''']-biflavone

Synonyms

CHEMBL205219; [4'',4'''''']-biflavone; BDBM50183248

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

442.5

Logarithm of the Partition Coefficient (xlogp)

6.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C30H18O4
IUPAC Name: 2-[4-[4-(4-oxochromen-2-yl)phenyl]phenyl]chromen-4-one
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC(=O)C6=CC=CC=C6O5
InChI: InChI=1S/C30H18O4/c31-25-17-29(33-27-7-3-1-5-23(25)27)21-13-9-19(10-14-21)20-11-15-22(16-12-20)30-18-26(32)24-6-2-4-8-28(24)34-30/h1-18H
InChIKey: HTPYEYLGDZAIRX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytosolic phospholipase A2 (GIVA cPLA2)	TTT1JVS	PA24A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibitory effect of synthetic C-C biflavones on various phospholipase A(2)s activity. Bioorg Med Chem. 2007 Nov 15;15(22):7138-43.