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

General Information of Drug (ID: DR2144)
Drug Name
Flavone
Synonyms
Asmacoril; Chromocor; Cromaril; Cromarile; FLAVONE; Flavon; Flavone; Phenylchromone; 2-Phenyl-4-benzopyron; 2-Phenyl-4-chromone; 2-Phenyl-4H-1-benzopyran-4-one; 2-Phenyl-4H-benzopyran-4-one; 2-Phenyl-4H-chromen-4-on; 2-Phenyl-4H-chromen-4-one; 2-Phenyl-chromen-4-one; 2-Phenyl-gamma-benzopyrone; 2-Phenylbenzopyran-4-one; 2-Phenylchrome; 2-Phenylchromone; 2-phenylchromen-4-one; 4H-1-Benzopyran-4-one, 2-phenyl-; 525-82-6; BRN 0157598; CCRIS 4288; EINECS 208-383-8; NSC 19028; NSC-19028; NSC19028; UNII-S2V45N7G3B
Indication Colon cancer [ICD11: 2B90] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 222.24 Topological Polar Surface Area 26.3
Heavy Atom Count 17 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
10680
PubChem SID
12229 ; 81975 ; 589074 ; 621065 ; 894248 ; 3133268 ; 5422192 ; 8138030 ; 8157719 ; 10322913 ; 10525272 ; 11145517 ; 11352088 ; 11393367 ; 14797981 ; 17137132 ; 17389570 ; 17396599 ; 24870087 ; 24894806 ; 26697253 ; 26752852 ; 29204142 ; 29229149 ; 30279698 ; 32626201 ; 46493766 ; 47515677 ; 47960105 ; 48185348 ; 48415240 ; 48421829 ; 48425145 ; 49737809 ; 49747452 ; 49889785 ; 50113345 ; 51075505 ; 53790304 ; 56462798 ; 57326386 ; 57393442 ; 57654180 ; 57807511 ; 79531197 ; 85086078 ; 85209887 ; 85293760 ; 85843922 ; 87569829
ChEBI ID
CHEBI:42491
CAS Number
525-82-6
TTD Drug ID
D0S0RK
Formula
C15H10O2
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
InChI
1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChIKey
VHBFFQKBGNRLFZ-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
6OHF DM005884
72279
Unclear 1 [3]
OHFM11 DM005887 N. A. Unclear 1 [3]
OHFM12 DM005886 N. A. Unclear 1 [3]
OHFM6 DM005889 N. A. Unclear 1 [3]
OHFM7 DM005885 N. A. Unclear 1 [3]
OHFM9 DM005888 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006309 Flavone 6OHF Unclear CYP1A2 ... [3]
MR006310 Flavone OHFM7 Unclear CYP1A2 ... [3]
MR006311 Flavone OHFM12 Unclear CYP1A2 ... [3]
MR006312 Flavone OHFM11 Unclear CYP1A2 ... [3]
MR006313 Flavone OHFM9 Unclear CYP2A6 [3]
MR006314 Flavone OHFM6 Unclear CYP2A6 [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Biphenyl dioxygenase (bphC) DME1009 Pseudomonas furukawaii
BPHC_PSEFK
1.13.11.39
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[3]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[4]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[3]
Naphthalene dioxygenase (doxB) DME1615 Pseudomonas furukawaii
NDOB_PSEU8
1.14.12.12
[2]
⏷ Show the Full List of 6  DME(s)
References
1 Flavone related terms.
2 Flavonoids biotransformation by bacterial non-heme dioxygenases, biphenyl and naphthalene dioxygenase. Appl Microbiol Biotechnol. 2011 Jul;91(2):219-28.
3 Urinary metabolites of dibutyl phthalate and benzophenone-3 are potential chemical risk factors of chronic kidney function markers among healthy women
4 Site-specific oxidation of flavanone and flavone by cytochrome P450 2A6 in human liver microsomes. Xenobiotica. 2019 Jul;49(7):791-802.

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