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

General Information of Drug (ID: DR2439)
Drug Name
CCG-208408
Synonyms
Narirutin; Naringenin 7-rutinoside; Naringenin-7-O-rutinoside; (S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ss-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; AK554011; CCG-208408; CHEMBL3185240; NCGC00163600-01
Indication Depression [ICD11: 6A71] Preclinical [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 580.5 Topological Polar Surface Area 225
Heavy Atom Count 41 Rotatable Bond Count 6
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
85704
CAS Number
14259-46-2
Formula
C27H32O14
Canonical SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O
InChI
1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3
InChIKey
HXTFHSYLYXVTHC-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
Naringenin DM003408
439246
Unclear 1 [2]
Liquiritin metabolite M9 DM005503
10394
Unclear 2 [2]
3-(4'-Hydroxyphenyl)acetic acid DM006476
335974748
Unclear 3 [2]
3-Phenylpropionic acid DM003391
107
Unclear 3 [2]
4-Hydroxybenzoic acid DM004023
135
Unclear 4 [2]
Midostaurin Metabolite P6B DM001361
464
Unclear 4 [2]
4-Hydroxyhippuric acid DM003392
151012
Unclear 5 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006956 CCG-208408 Naringenin Unclear Unclear [2]
MR006957 Naringenin 3-(4-Hydroxyphenyl)propionic acid Unclear Unclear [2]
MR006958 3-(4-Hydroxyphenyl)propionic acid 3-(4'-Hydroxyphenyl)acetic acid Unclear Unclear [2]
MR006961 3-(4-Hydroxyphenyl)propionic acid 3-(Phenyl)propionic acid Unclear Unclear [2]
MR006959 3-(4'-Hydroxyphenyl)acetic acid 4'-Hydroxybenzoic acid Unclear Unclear [2]
MR006962 3-(Phenyl)propionic acid Hippuric acid Unclear Unclear [2]
MR006960 4'-Hydroxybenzoic acid 4'-Hydroxyhippuric acid Unclear Unclear [2]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-glucosidase (bglA) DME1207 Lactobacillus rhamnosus
A0A249DCH3_LACRH
3.2.1.21
[2]
References
1 Narirutin produces antidepressant-like effects in a chronic unpredictable mild stress mouse model. Neuroreport. 2018 Oct 17;29(15):1264-1268.
2 Catabolism of citrus flavanones by the probiotics Bifidobacterium longum and Lactobacillus rhamnosus. Eur J Nutr. 2018 Feb;57(1):231-242.

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