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CHEBI:142043 - α-nootkatol

ChEBI IDCHEBI:142043
ChEBI Nameα-nootkatol
Stars
ASCII Namealpha-nootkatol
DefinitionA 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.
Last Modified4 September 2018
SubmitterAdnan
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C(C)[C@@H]1CCC2=C[C@H](O)C[C@@H](C)[C@]2(C)C1
InChIInChI=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
InChIKeyGFNWRKNVTHDNPV-GBOPCIDUSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (15602686)
Alpinia oxyphylla (ncbitaxon:125261) fruit (BTO:0000486) Article (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])
Roles Classification
Biological Roles:
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 Relation(s)
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  Source
2-epinootkatolChEBI
2β-hydroxyvalenceneChEBI
cis-nootkatolChEBI
4α,4aα-dimethyl-6β-(1-methylethenyl)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2β-olChEBI
UniProt Name  Source
α-nootkatolUniProt
Registry NumbersSources
Reaxys:2212838Reaxys
Citations