EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167323 - koraiol

ChEBI IDCHEBI:167323
ChEBI Namekoraiol
Stars
DefinitionA carbotricyclic compound that is tricyclo[7.2.0.02,5]undecane which is substituted by a hydroxy group at position 6 and by methyl groups at positions 2, 6, 10 and 10 (the 1S,2R,5S,6S,9S-diastereoisomer). It is a sesquiterpenoid isolated from Pinus koraiensis.
Last Modified26 January 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@]12CC[C@]1(C)[C@@]1([H])CC(C)(C)[C@@]1([H])CC[C@]2(C)O
InChIInChI=1S/C15H26O/c1-13(2)9-11-10(13)5-8-15(4,16)12-6-7-14(11,12)3/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14+,15-/m0/s1
InChIKeyCPLGPDHGFNXBOA-JVSQWTDWSA-N
Species of MetaboliteComponentSourceComments
Pinus koraiensis (ncbitaxon:88728) - DOI (10.1007/BF00565927)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
koraiol (CHEBI:167323) has role plant metabolite (CHEBI:76924)
koraiol (CHEBI:167323) is a carbotricyclic compound (CHEBI:38032)
koraiol (CHEBI:167323) is a sesquiterpenoid (CHEBI:26658)
koraiol (CHEBI:167323) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,2R,5S,6S,9S)-2,6,10,10-tetramethyltricyclo[7.2.0.02,5]undecan-6-ol
Synonym  Source
korayolChEBI
UniProt Name  Source
koraiolUniProt
Manual XrefsDatabases
FDB016241FooDB
HMDB0037234HMDB
Registry NumbersSources
CAS:72188-51-3HMDB
Citations