CHEBI:76943 - (+)-copalol

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ChEBI Name (+)-copalol
ChEBI ID CHEBI:76943
Definition A labdane diterpenoid in which the labdane skeleton has double bonds at positions 8(17) and 13 (the latter with E-stereochemistry) and carries a hydroxy group at the terminal C-15 position.
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 290.26097
InChI InChI=1S/C20H34O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18,21H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18-,20+/m0/s1
InChIKey NERNKRPBSOBEHC-ATPOGHATSA-N
SMILES C\C(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO
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 (+)-copalol (CHEBI:76943) has role metabolite (CHEBI:25212)
(+)-copalol (CHEBI:76943) is a labdane diterpenoid (CHEBI:36770)
(+)-copalol (CHEBI:76943) is a primary alcohol (CHEBI:15734)
(+)-copalol (CHEBI:76943) is enantiomer of (−)-ent-copalol (CHEBI:76950)
Incoming (−)-ent-copalol (CHEBI:76950) is enantiomer of (+)-copalol (CHEBI:76943)
IUPAC Name
(2E)-3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-ol
Synonyms Sources
(+)-9,10-anti-copalol ChEBI
(+)-copalol UniProt
8(17),13(E)-labdadien-15-ol ChEBI
anti-copalol ChEBI
Labda-8(17),13E-dien-15-ol ChEBI
Manual Xref Database
CPD-14027 MetaCyc
View more database links
Registry Number Type Source
5479845 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21290071 PubMed citation SUBMITTER
Last Modified
27 January 2014