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CHEBI:68624 - cis-abienol

ChEBI IDCHEBI:68624
ChEBI Namecis-abienol
Stars
ASCII Namecis-abienol
DefinitionA labdane diterpenoid in which the labdane skeleton has double bonds at C-12 and C-14 (the former with Z-stereochemistry) and carries a hydroxy group at position C-8.
Last Modified9 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC20H34O
Net Charge0
Average Mass290.491
Monoisotopic Mass290.26097
SMILES[H][C@@]12CC[C@@](C)(O)[C@H](C/C=C(/C)C=C)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19-,20+/m0/s1
InChIKeyZAZVCYBIABTSJR-SZAPHMHZSA-N
Roles Classification
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)
cis-abienol (CHEBI:68624) has role metabolite (CHEBI:25212)
cis-abienol (CHEBI:68624) is a labdane diterpenoid (CHEBI:36770)
cis-abienol (CHEBI:68624) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalen-2-ol
Synonyms  Source
(12Z)-AbienolChemIDplus
(Z)-AbienolChemIDplus
(Z)-Labda-12,14-dien-8-olChemIDplus
UniProt Name  Source
cis-abienolUniProt
Registry NumbersSources
Reaxys:2052449Reaxys
CAS:17990-16-8ChemIDplus
Citations