CHEBI:86068 - 5-hydroxyconiferyl alcohol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-hydroxyconiferyl alcohol
ChEBI ID CHEBI:86068
Definition A phenylpropanoid that is cinnamyl alcohol in which the hydrogens at positions 3 and 4 on the benzene ring are replaced by hydroxy groups while that at position 5 is replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H12O4
Net Charge 0
Average Mass 196.19990
Monoisotopic Mass 196.07356
InChI InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3
InChIKey NPNAJGCZQBQWQZ-UHFFFAOYSA-N
SMILES COc1cc(C=CCO)cc(O)c1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via catechol )
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-hydroxyconiferyl alcohol (CHEBI:86068) has functional parent cinnamyl alcohol (CHEBI:17177)
5-hydroxyconiferyl alcohol (CHEBI:86068) has role plant metabolite (CHEBI:76924)
5-hydroxyconiferyl alcohol (CHEBI:86068) is a catechol (CHEBI:18135)
5-hydroxyconiferyl alcohol (CHEBI:86068) is a guaiacols (CHEBI:134251)
5-hydroxyconiferyl alcohol (CHEBI:86068) is a phenylpropanoid (CHEBI:26004)
Incoming (E)-5-hydroxyconiferyl alcohol (CHEBI:31135) is a 5-hydroxyconiferyl alcohol (CHEBI:86068)
IUPAC Name
5-(3-hydroxyprop-1-en-1-yl)-3-methoxybenzene-1,2-diol
Manual Xrefs Databases
5-HYDROXY-CONIFERYL-ALCOHOL MetaCyc
C00007337 KNApSAcK
C12205 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1782-47-4 CAS Registry Number KEGG COMPOUND
2617914 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14745009 PubMed citation Europe PMC
25902506 PubMed citation Europe PMC
Last Modified
07 April 2017