Details of the Drug

General Information of Drug (ID: DMH04P7)

Drug Name

3,7-dihydroxy-flavone

Synonyms

3,7-dihydroxyflavone; 7-Hydroxyflavonol; 492-00-2; 3,7-dihydroxy-2-phenyl-4H-chromen-4-one; 5-Deoxygalangin; 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-phenyl-; UNII-O948D0K9BQ; O948D0K9BQ; CHEMBL210276; 3,7-dihydroxy-2-phenylchromen-4-one; 3,7-dihydroxy-flavone; 7,3'-dihydroxyflavonol; SR-01000314616; Resogalangin; SPBio_001803; Spectrum_001462; SpecPlus_000778; AC1NU2BD; Spectrum4_001767; Spectrum3_001623; Spectrum2_001652; Spectrum5_000353; 3,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; Oprea1_793720; KBioSS_001942; KBioGR_002253

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

254.24

Topological Polar Surface Area (xlogp)

3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H10O4
IUPAC Name: 3,7-dihydroxy-2-phenylchromen-4-one
Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O
InChI: InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,16,18H
InChIKey: UWQJWDYDYIJWKY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5393152
ChEBI ID: CHEBI:109535
CAS Number: 492-00-2
TTD ID: D0JL2T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Enoyl-ACP reductase (Malaria fabI)	TTNX2CS	Q965D5_PLAFA	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. J Med Chem. 2006 Jun 1;49(11):3345-53.
2	Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
3	Green tea catechins potentiate triclosan binding to enoyl-ACP reductase from Plasmodium falciparum (PfENR). J Med Chem. 2007 Feb 22;50(4):765-75.
4	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
5	Lipid biosynthesis as a target for antibacterial agents. Prog Lipid Res. 2001 Nov;40(6):467-97.