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

General Information of Drug (ID: DR2721)
Drug Name
AS-63093
Synonyms
Dihydrocafeate; Dihydrocaffeic acid; Hydrocaffeate; Hydrocaffeic acid; Hydrocaffeic acid polymer; 1078-61-1; 3,4-Dihydroxybenzenepropanoic acid; 3,4-Dihydroxybenzenepropionic acid; 3,4-Dihydroxydihydrocinnamic acid; 3,4-Dihydroxyhydrocinnamic acid; 3,4-Dihydroxyphenylpropionic acid; 3,4-dihydroxyhydrocinnamate; 3-(3,4-Dihydroxyphenyl)propanoic acid; 3-(3,4-Dihydroxyphenyl)propionic acid; 71693-95-3; Benzenepropanoic acid, DZAUWHJDUNRCTF-UHFFFAOYSA-N; 3,4-dihydroxy-; CHEBI:48400; HYKOP; MFCD00002776; NSC624007
Indication Allergy [ICD11: 4A80] Preclinical [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 182.17 Topological Polar Surface Area 77.8
Heavy Atom Count 13 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
348154
ChEBI ID
CHEBI:48400
CAS Number
71693-95-3
Formula
C9H10O4
Canonical SMILES
C1=CC(=C(C=C1CCC(=O)O)O)O
InChI
1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChIKey
DZAUWHJDUNRCTF-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
3-(3'-Hydroxyphenyl)propionic acid DM004111
91
Unclear 1 [3]
4-hydroxy- 4-Hydroxyphenylpropionic acid DM006473
14340
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006953 AS-63093 3-(3-Hydroxyphenyl)propanoic acid Unclear Unclear [3]
MR006954 AS-63093 4-hydroxy- 4-Hydroxyphenylpropionic acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1257 Bifidobacterium longum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1277 Lactobacillus rhamnosus Not Available Not Available [2]
References
1 Epigenetic modulation of inflammation and synaptic plasticity promotes resilience against stress in mice. Nat Commun. 2018 Feb 2;9(1):477.
2 Catabolism of citrus flavanones by the probiotics Bifidobacterium longum and Lactobacillus rhamnosus. Eur J Nutr. 2018 Feb;57(1):231-242.
3 Studies on pharmacokinetic drug interaction potential of vinpocetine. Medicines (Basel). 2015 Jun 5;2(2):93-105.

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