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

General Information of Drug (ID: DR2499)
Drug Name
Cinnamic acid
Synonyms
Benzeneacrylic acid; Benzenepropenoic acid; CINNAMIC ACID; Cinnamic acid, (E)-; Cinnamylic acid; E-Cinnamic Acid; Phenylacrylic acid; TRANS-CINNAMIC ACID; Zimtsaeure; t-Cinnamic acid; trans-3-Phenyl-2-propenoic acid; trans-3-Phenylacrylic acid; trans-Cinnamate; trans-beta-Carboxystyrene; (2E)-3-phenylprop-2-enoic acid; (E)-3-Phenyl-2-propenoic acid; (E)-3-phenylprop-2-enoic acid; (E)-Cinnamic acid; (E)-cinnamate; 140-10-3; 3-Phenylacrylic acid; 3-Phenylpropenoic acid; 3-phenylprop-2-enoic acid; 621-82-9
Indication Obesity [ICD11: 5B81] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 148.16 Topological Polar Surface Area 37.3
Heavy Atom Count 11 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
444539
PubChem SID
3713 ; 12623 ; 74712 ; 98281 ; 491236 ; 583919 ; 588530 ; 607059 ; 3135953 ; 7890710 ; 10299545 ; 10507636 ; 11533177 ; 14717783 ; 15219201 ; 22394956 ; 24848120 ; 24890291 ; 24893022 ; 24900955 ; 24900956 ; 25823625 ; 26703239 ; 29203962 ; 29217737 ; 36887530 ; 37608491 ; 46516668 ; 48421995 ; 49759521 ; 49856504 ; 49955076 ; 53788561 ; 57404626 ; 57924781 ; 80708217 ; 85164956 ; 85246717 ; 87565486 ; 87565727 ; 88529734 ; 92297555 ; 93166038 ; 99450362 ; 103131880 ; 103198631 ; 104632365 ; 104667294 ; 115001552 ; 117544895
ChEBI ID
CHEBI:35697
CAS Number
140-10-3
TTD Drug ID
D0T2QL
Formula
C9H8O2
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)O
InChI
1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey
WBYWAXJHAXSJNI-VOTSOKGWSA-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
Cinnamic acid Metabolite DM004902 N. A. Unclear 1 [3]
Cinnamic acid Metabolite DM004903 N. A. Unclear 2 [3]
Cinnamoylglycine DM004909
709625
Unclear 2 [3]
3-hydroxy-3-phenylpropionic acid DM004908
92959
Unclear 3 [3]
Cinnamic acid Metabolite DM004904 N. A. Unclear 3 [3]
Acetophenone DM004907
7410
Unclear 4 [3]
Cinnamic acid Metabolite DM004905 N. A. Unclear 4 [3]
Midostaurin Metabolite P6 DM001360
243
Unclear 5 [3]
Midostaurin Metabolite P6B DM001361
464
Unclear 5 [3]
Benzoyl glucuronide DM004906
115145
Unclear 6 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005284 Cinnamic acid Cinnamic acid Metabolite Unclear Unclear [3]
MR005285 Cinnamic acid Metabolite Cinnamic acid Metabolite Unclear Unclear [3]
MR005293 Cinnamic acid Metabolite Cinnamoylglycine Unclear Unclear [3]
MR005286 Cinnamic acid Metabolite Cinnamic acid Metabolite Unclear Unclear [3]
MR005292 Cinnamic acid Metabolite 3-hydroxy-3-phenylpropionic acid Unclear Unclear [3]
MR005287 Cinnamic acid Metabolite Cinnamic acid Metabolite Unclear Unclear [3]
MR005291 Cinnamic acid Metabolite Acetophenone Unclear Unclear [3]
MR005288 Cinnamic acid Metabolite Benzoic acid Unclear Unclear [3]
MR005290 Cinnamic acid Metabolite Hippuric acid Unclear Unclear [3]
MR005289 Benzoic acid Benzoyl glucuronide Unclear Unclear [3]
⏷ Show the Full List of 10 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1735 Lacrimispora aerotolerans Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1736 Lacrimispora xylanolytica Not Available Not Available [2]
References
1 National Center for Advancing Translational Science-Inxight: drug (U14A832J8D)
2 Metabolism of cinnamic acids by some Clostridiales and emendation of the descriptions of Clostridium aerotolerans, Clostridium celerecrescens and Clostridium xylanolyticum. Int J Syst Evol Microbiol. 2001 Nov;51(Pt 6):2105-11.
3 Metabolism of trans-cinnamic acid in the rat and the mouse and its variation with dose

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