alpha-nootkatol (CHEBI:142043)

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ChEBI Name	α-nootkatol

ChEBI ID	CHEBI:142043

ChEBI ASCII Name	alpha-nootkatol

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

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

Supplier Information

Download	Molfile XML SDF

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-GBOPCIDUSA-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: Xu, Junju; Su, Jia; Li, Yan; Tan, Ninghua. Chemistry of Natural Compounds, 2013, vol. 49 (3), p. 457 - 461. [Khim. Prir. Soedin. 2013, p. 390 - 393]
Chaetomium globosum (NCBI:txid38033)	See: PubMed

Roles Classification
Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. 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	α-nootkatol (CHEBI:142043) has role fungal metabolite (CHEBI:76946) α-nootkatol (CHEBI:142043) has role plant metabolite (CHEBI:76924) α-nootkatol (CHEBI:142043) is a 6-isopropenyl-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol (CHEBI:142044)

IUPAC Name

(2R,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
2-epinootkatol	ChEBI
2β-hydroxyvalencene	ChEBI
4α,4aα-dimethyl-6β-(1-methylethenyl)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2β-ol	ChEBI
α-nootkatol	UniProt
cis-nootkatol	ChEBI

Registry Number	Type	Source
2212838	Reaxys Registry Number	Reaxys

Last Modified

04 September 2018