Details of the Drug

General Information of Drug (ID: DM73OTF)

Drug Name
DIHYDROKAEMPFEROL
Synonyms
aromadendrin; 480-20-6; (+)-Dihydrokaempferol; dihydrokaempferol; katuranin; (+)-aromadendrin; Aromadendrol; (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; (+)-Aromadendrol; UNII-7YA4640575; (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one; CHEMBL9323; CHEBI:15401; PADQINQHPQKXNL-LSDHHAIUSA-N; 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R,3R)-; 7YA4640575; Arbo 14; AC1L3VDW; AC1Q6KIF; (2R,3R)-dihydrokaempferol; MLS000697722
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) 288.25
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H12O6
IUPAC Name
(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Canonical SMILES
C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1
InChIKey
PADQINQHPQKXNL-LSDHHAIUSA-N
Cross-matching ID
PubChem CID
122850
ChEBI ID
CHEMBL9323
CAS Number
480-20-6
TTD ID
D0R4FM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Xanthine dehydrogenase/oxidase (XDH) TT7RJY8 XDH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8.