Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1939)
Drug Name
Chrysin
Synonyms
Chrysin, 99+%; Chrysine; Crysin; FLAVONE, 5,7-DIHYDROXY-; RTIXKCRFFJGDFG-UHFFFAOYSA-N; chrysin; 3CN01F5ZJ5; 480-40-0; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-; 5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one; 5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one; 5,7-Dihydroxy-2-phenyl-4H-chromen-4-one; 5,7-Dihydroxy-2-phenyl-chromen-4-one; 5,7-Dihydroxyflavone; 5,7-dihydroxy-2-phenylchromen-4-one; BRN 0233276; CAS-480-40-0; CHEBI:75095; CHEMBL117; EINECS 207-549-7; MFCD00006834; NSC 407436; NSC-407436; NSC407436; UNII-3CN01F5ZJ5
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 254.24 Topological Polar Surface Area 66.8
Heavy Atom Count 19 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5281607
ChEBI ID
CHEBI:75095
CAS Number
480-40-0
TTD Drug ID
D01UYI
Formula
C15H10O4
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
InChIKey
RTIXKCRFFJGDFG-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Chrysin-7-O-glucuronide DM005852
14135335
Conjugation - Glucuronidation 1 [3]
Chrysin-7-sulfate DM005853
69503899
Conjugation - Sulfation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006258 Chrysin Chrysin-7-O-glucuronide Conjugation - Glucuronidation UGT [3]
MR006259 Chrysin Chrysin-7-sulfate Conjugation - Sulfation SULT [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Km = 0.004 microM
UD11_HUMAN
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Km = 0.004 microM
UD17_HUMAN
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Km = 0.004 microM
UD18_HUMAN
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Km = 0.004 microM
UD19_HUMAN
[2]
References
1 Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.
2 Differential and special properties of the major human UGT1-encoded gastrointestinal UDP-glucuronosyltransferases enhance potential to control chemical uptake. J Biol Chem. 2004 Jan 9;279(2):1429-41.
3 Interaction of Chrysin and Its Main Conjugated Metabolites Chrysin-7-Sulfate and Chrysin-7-Glucuronide with Serum Albumin

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