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Inhibitor Report for: Caffeic-acid

Product of hydrolysis by Faec and inhibitor of some a/b hydrolases. Caffeic Acid is an orally bioavailable, hydroxycinnamic acid derivative and polyphenolnd, a member of catechols, with potential anti-oxidant, anti-inflammatory, and antineoplastic activities. It has a role as a plant metabolite, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an EC 2.5.1.18 (glutathione transferase) inhibitor, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an antioxidant and an EC 3.5.1.98 (histone deacetylase) inhibitor.


General
Type Hydroxycinnamic-ester, Acrylate
Chemical_Nomenclature (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Other name(s) Caffeic acid ; 3,4-Dihydroxycinnamic acid ; 331-39-5 ; 3-(3,4-dihydroxyphenyl)acrylic acid ; Trans-Caffeate ; DB01880 ; CHEBI:16433 ; CHEBI:36281 ; CHEMBL145
________________________________________________________________________________________________
MW|180.15
Formula|C9H8O4
CAS_number|501-16-6
PubChem|689043
UniChem|QAIPRVGONGVQAS-DUXPYHPUSA-N
IUPHAR|
Wikipedia|

Target
Families | Caffeic-acid ligand of proteins in family: AlphaBeta_hydrolase
Stucture | 1 structure: 3S2Z: Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 S106A mutant in complex with caffeic acid (replaced 3PFA: withdrawn)
Protein | lacjo-q74hk5

References:
Search PubMed for references concerning: Caffeic-acid
    Title: Modulatory effect of caffeic acid on cholinesterases inhibitory properties of donepezil
    Agunloye OM, Oboh G
    Ref: J Complement Integr Med, 15:, 2017 : PubMed

            

    Title: An inserted alpha/beta subdomain shapes the catalytic pocket of Lactobacillus johnsonii cinnamoyl esterase
    Lai KK, Stogios PJ, Vu C, Xu X, Cui H, Molloy S, Savchenko A, Yakunin A, Gonzalez CF
    Ref: PLoS ONE, 6:e23269, 2011 : PubMed