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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:15401
CAS Number: 480-20-6
TTD ID: D0R4FM

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.