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
Logarithm of the Partition Coefficient (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]
Molecular Interaction Atlas (MIA) 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.