CHEBI:68624 - cis-abienol

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ChEBI Name cis-abienol
ChEBI ID CHEBI:68624
ChEBI ASCII Name cis-abienol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C20H34O
Net Charge 0
Average Mass 290.48340
Monoisotopic Mass 290.261
InChI InChI=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
InChIKey ZAZVCYBIABTSJR-SZAPHMHZSA-N
SMILES [H][C@@]12CC[C@@](C)(O)[C@H](C\C=C(\C)C=C)[C@@]1(C)CCCC2(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(12Z)-Abienol ChemIDplus
(Z)-Abienol ChemIDplus
(Z)-Labda-12,14-dien-8-ol ChemIDplus
cis-abienol UniProt
Registry Numbers Types Sources
17990-16-8 CAS Registry Number ChemIDplus
2052449 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20014852 PubMed citation Europe PMC
21299139 PubMed citation Europe PMC
22129092 PubMed citation Europe PMC
22337889 PubMed citation SUBMITTER
22685082 PubMed citation Europe PMC
6315213 PubMed citation Europe PMC
8311442 PubMed citation Europe PMC
IND20495864 Agricola citation Europe PMC
IND83050722 Agricola citation Europe PMC
IND91018865 Agricola citation Europe PMC
Last Modified
09 October 2012