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

General Information of Drug (ID: DR2722)
Drug Name
FT-0669759
Synonyms
Hydroxy-4-methoxybenzenepropanoic acid; EN300-56998; 3-Hydroxy-4-methoxybenzenepropanoic acid; 3-(3-hydroxy-4-methoxyphenyl)propanoic acid; UNII-4AC7M5U2UE; 3-Hydroxy-4-methoxy-benzenepropanoic Acid; Benzenepropanoic acid, 3-hydroxy-4-methoxy-; 3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID; 4AC7M5U2UE; 3-(3-hydroxy-4-methoxyphenyl) propionic acid; SCHEMBL490726; CHEMBL338727; CTK7A7136; DTXSID70150425; ZVIJTQFTLXXGJA-UHFFFAOYSA-N; ZINC3847173; AKOS000190923; NE11866; MCULE-9703563699; 3-(3-Hydroxy-4-methoxy-phenyl)-propionic acid; Q27259341; Z9108; 1135-15-5
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 196.2 Topological Polar Surface Area 66.8
Heavy Atom Count 14 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
2752054
CAS Number
1135-15-5
Formula
C10H12O4
Canonical SMILES
COC1=C(C=C(C=C1)CCC(=O)O)O
InChI
1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChIKey
ZVIJTQFTLXXGJA-UHFFFAOYSA-N
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 Prenylated benzenepropanoic acid analogues from the Citrus grandis (L.) Osbeck and their anti-neuroinflammatory activity. Fitoterapia. 2019 Nov;139:104410.
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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