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
CHEMBL109535
CAS Number
492-00-2
TTD ID
D0JL2T
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.