CHEBI:82801 - (1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol

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ChEBI Name (1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
ChEBI ID CHEBI:82801
ChEBI ASCII Name (1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
Definition A fifteen-membered macrocyclic diterpenoid consisting of (1S,4E,8E,12E)-cyclopentadeca-4,8,12-trien-1-ol carrying five additional methyl substituents at positions 2, 2, 5, 9 and 13.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C20H34O
Net Charge 0
Average Mass 290.48340
Monoisotopic Mass 290.26097
InChI InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-13-19(21)20(4,5)15-14-18(3)11-7-9-16/h9-10,14,19,21H,6-8,11-13,15H2,1-5H3/b16-9+,17-10+,18-14+/t19-/m0/s1
InChIKey BAHYVRQOLFYWAA-CRVSJLGISA-N
SMILES C\C1=C/CC\C(C)=C\CC(C)(C)[C@@H](O)CC\C(C)=C\CC1
ChEBI Ontology
Outgoing (1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a cycloalkatriene (CHEBI:36402)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a diterpenoid (CHEBI:23849)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a macrocycle (CHEBI:51026)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a olefinic compound (CHEBI:78840)
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol (CHEBI:82801) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol
Synonym Source
(1S,4E,8E,12E)-2,2,5,9,13-pentamethylcyclopentadeca-4,8,12-trien-1-ol UniProt
Manual Xref Database
CPD-16931 MetaCyc
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Registry Number Type Source
27195906 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23386483 PubMed citation SUBMITTER
Last Modified
04 November 2014