beta-nootkatol (CHEBI:81378)

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ChEBI Name	β-nootkatol

ChEBI ID	CHEBI:81378

ChEBI ASCII Name	beta-nootkatol

Definition	A 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2S,4R,4aS,6R) stereochemistry.

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

Supplier Information

Download	Molfile XML SDF

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Formula

C15H24O

Net Charge

Average Mass

220.351

Monoisotopic Mass

220.18272

InChI

InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1

InChIKey

GFNWRKNVTHDNPV-UXOAXIEHSA-N

SMILES

C12=C[C@H](C[C@H]([C@@]1(C[C@@H](CC2)C(=C)C)C)C)O

Metabolite of Species	Details
Alpinia oxyphylla (NCBI:txid125261)	Found in fruit (BTO:0000486). See: PubMed
Callitropsis nootkatensis (NCBI:txid85954)	See: PubMed

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	β-nootkatol (CHEBI:81378) has role plant metabolite (CHEBI:76924) β-nootkatol (CHEBI:81378) is a 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol (CHEBI:142044)

IUPAC Name

(2S,4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol

Synonyms	Sources
(+)-trans-nootkatol	ChEBI
2α-hydroxy-4α,5α,7β-eremophil-1(10),11-diene	ChEBI
2α-hydroxyvalencene	ChEBI
4α,4aα-dimethyl-6β-(1-methylethenyl)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2α-ol	ChEBI
β-nootkatol	ChemIDplus
nootkatol	UniProt
trans-nootkatol	ChEBI

Last Modified

03 September 2018