CHEBI:31334 - (E)-caffeyl alcohol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-caffeyl alcohol
ChEBI ID CHEBI:31334
ChEBI ASCII Name (E)-caffeyl alcohol
Definition A caffeyl alcohol in which the double bond has E geochemistry.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10O3
Net Charge 0
Average Mass 166.17390
Monoisotopic Mass 166.063
InChI InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2/b2-1+
InChIKey ZCKDCRKBURQZPT-OWOJBTEDSA-N
SMILES OC\C=C\c1ccc(O)c(O)c1
Roles Classification
Biological Role(s): genotoxin
A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
(via catechol )
allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
(via catechol )
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via catechol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-caffeyl alcohol (CHEBI:31334) has functional parent (E)-cinnamyl alcohol (CHEBI:33227)
(E)-caffeyl alcohol (CHEBI:31334) is a caffeyl alcohol (CHEBI:86071)
IUPAC Name
4-[(1E)-3-hydroxyprop-1-en-1-yl]benzene-1,2-diol
Synonyms Sources
(E)-caffeyl alcohol UniProt
3,4-dihydroxycinnamyl alcohol ChEBI
Caffeyl alcohol KEGG COMPOUND
Registry Number Type Source
2042377 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
14745009 PubMed citation Europe PMC
Last Modified
17 June 2015