koraiol (CHEBI:167323)

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ChEBI Name	koraiol

ChEBI ID	CHEBI:167323

Definition	A carbotricyclic compound that is tricyclo[7.2.0.0^2,5]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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

Download	Molfile XML SDF

Formula

C15H26O

Net Charge

Average Mass

222.372

Monoisotopic Mass

222.19837

InChI

InChI=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

InChIKey

CPLGPDHGFNXBOA-JVSQWTDWSA-N

SMILES

[H][C@]12CC(C)(C)[C@@]1([H])CC[C@](C)(O)[C@@]1([H])CC[C@]21C

Metabolite of Species	Details
Pinus koraiensis (NCBI:txid88728)	See: DOI

Roles Classification
Biological Role(s):	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	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[7.2.0.0^2,5]undecan-6-ol

Registry Number	Type	Source
72188-51-3	CAS Registry Number	HMDB

Last Modified

26 January 2021