Details of the Drug

General Information of Drug (ID: DMHU4NS)

Drug Name

[3,4''']biflavone

Synonyms

CHEMBL204948; [3,4'''''']biflavone; BDBM50183244

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)

6.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C30H18O4
IUPAC Name: 3-[4-(4-oxochromen-2-yl)phenyl]-2-phenylchromen-4-one
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C4=CC=C(C=C4)C5=CC(=O)C6=CC=CC=C6O5
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
InChIKey: DKAAIRCEBVCHAT-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.