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CHEBI:75881 - cuevaene A

ChEBI IDCHEBI:75881
ChEBI Namecuevaene A
Stars
DefinitionA monocarboxylic acid that is (2E,4Z,6E)-4-methoxy-6-methylhepta-2,4,6-trienoic acid substituted at position 7 by an 8-hydroxy-1,2,3,4-tetrahydrodibenzofuran-1-yl group.
Last Modified27 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOC(=C\C(C)=C\C1CCCc2oc3ccc(O)cc3c21)/C=C/C(=O)O
InChIInChI=1S/C21H22O5/c1-13(11-16(25-2)7-9-20(23)24)10-14-4-3-5-19-21(14)17-12-15(22)6-8-18(17)26-19/h6-12,14,22H,3-5H2,1-2H3,(H,23,24)/b9-7+,13-10+,16-11-
InChIKeyLWPQRRAIIWETLD-LUGDWHTQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cuevaene A (CHEBI:75881) has role metabolite (CHEBI:25212)
cuevaene A (CHEBI:75881) is a dibenzofurans (CHEBI:38922)
cuevaene A (CHEBI:75881) is a enol ether (CHEBI:47985)
cuevaene A (CHEBI:75881) is a phenols (CHEBI:33853)
cuevaene A (CHEBI:75881) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
(2E,4Z,6E)-7-(8-hydroxy-1,2,3,4-tetrahydrodibenzo[b,d]furan-1-yl)-4-methoxy-6-methylhepta-2,4,6-trienoic acid
Registry NumbersSources
Reaxys:20668157Reaxys
Citations