Details of the Drug

General Information of Drug (ID: DMUWA2G)

Drug Name

KAEMPFERIDE

Synonyms

Kaempferide; 491-54-3; Kaempferid; 4'-Methylkaempferol; 4'-O-Methylkaempferol; Kaempferol 4'-methyl ether; Kaemperide; Campheride; Kempferide; UNII-508XL61MPD; 4'-Methoxy-3,5,7-trihydroxyflavone; NSC 407294; KAMPFERIDE; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-; 5,7-Dihydroxy-4'-methoxyflavonol; 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one; EINECS 207-738-4; BRN 0305378; 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone; Flavone, 3,5,7-trihydroxy-4'-methoxy-; CHEMBL40919; CHEBI:6099; 508XL61MPD

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)

300.26

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C16H12O6
IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
Canonical SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI: InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
InChIKey: SQFSKOYWJBQGKQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5281666
ChEBI ID: CHEBI:6099
CAS Number: 491-54-3
TTD ID: D04DYO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytochrome P450 1B1 (CYP1B1)	TTI84H7	CP1B1_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Solute carrier family 2, facilitated glucose transporter member 1 (SLC2A1)	OTA675TJ	GTR1_HUMAN	Gene/Protein Processing	[2]
Vascular endothelial growth factor A, long form	OTIM9MZ3	VEGFA_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.
2	Isolation, identification, and biological evaluation of HIF-1-modulating compounds from Brazilian green propolis. Bioorg Med Chem. 2011 Sep 15;19(18):5392-401. doi: 10.1016/j.bmc.2011.07.060. Epub 2011 Aug 4.