CHEBI:142393 - 4-O-β-D-glucosyl-trans-caffeic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-O-β-D-glucosyl-trans-caffeic acid ChEBI ID CHEBI:142393 ChEBI ASCII Name 4-O-beta-D-glucosyl-trans-caffeic acid Definition A hydroxycinnamic acid that is trans-caffeic acid in which the phenolic hydroxy group at position 4 has been converted into its β-D-glucoside. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H18O9 Net Charge 0 Average Mass 342.299 Monoisotopic Mass 342.09508 InChI InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1 InChIKey OHEYCHKLBCPRLZ-VHCZEJTMSA-N SMILES C=1(C=C(C=CC1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C=C/C(=O)O)O Metabolite of Species Details Ranunculus ternatus (NCBI:txid376254) Found in root (BTO:0001188). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) has functional parent trans-caffeic acid (CHEBI:16433) 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is a β-D-glucoside (CHEBI:22798) 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is a hydroxycinnamic acid (CHEBI:24689) 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is a monosaccharide derivative (CHEBI:63367) 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) is conjugate acid of 4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) Incoming 4-O-β-D-glucosyl-trans-caffeate (CHEBI:141765) is conjugate base of 4-O-β-D-glucosyl-trans-caffeic acid (CHEBI:142393) IUPAC Name (2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]prop-2-enoic acid Synonyms Sources (E)-4-O-(β-D-glucopyranosyl)caffeic acid ChEBI (E)-caffeic acid 4-O-β-D-glucopyranoside ChEBI 4'-O-β-D-glucopyranosylcaffeic acid ChEBI 4-O-(β-D-glucopyranosyl)-E-caffeic acid ChEBI 4-O-β-glucopyranosyl-(E)-caffeic acid ChEBI linocaffein ChEBI trans-caffeic acid 4-O-β-D-glucopyranoside ChEBI trans-caffeic acid 4-O-β-D-glucoside ChEBI Registry Number Type Source 44983 Reaxys Registry Number Reaxys Citations Types Sources 11042211 PubMed citation Europe PMC 16753780 PubMed citation Europe PMC 26222269 PubMed citation Europe PMC Last Modified 28 April 2020