nezukol (CHEBI:138166)

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ChEBI Name	nezukol

ChEBI ID	CHEBI:138166

Definition	An isopimarane diterpenoid that is isopimarane in which the ethyl subtituent at position 13 has undergone formal dehydrogenation to the corresponding vinyl group, and in which the hydrogen at position 8 has been replaced by a hydroxy group. It has been found in the leaves of several plants, including Cryptomeria japonica and Isodon rubescens.

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

Submitter	Kristian Axelsen

Supplier Information	ZINC000014657313

Download	Molfile XML SDF

Formula

C20H34O

Net Charge

Average Mass

290.484

Monoisotopic Mass

290.26097

InChI

InChI=1S/C20H34O/c1-6-18(4)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16,21)14-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16+,18-,19-,20+/m0/s1

InChIKey

IYDAPILQPCDHTO-HHUCQEJWSA-N

SMILES

C1CCC([C@]2([C@]1([C@@]3([C@@](CC2)(C[C@@](CC3)(C)C=C)O)[H])C)[H])(C)C

Metabolite of Species	Details
Callitropsis vietnamensis (NCBI:txid257623)	Found in leaf (BTO:0000713). Found in essential oil from leaves See: PubMed
Taxodium distichum (NCBI:txid28982)	Found in heartwood (PO:0004512). See: PubMed
Cryptomeria japonica (NCBI:txid3369)	Found in leaf (BTO:0000713). Found in essential oil from leaves See: PubMed
Hesperocyparis arizonica (NCBI:txid49011)	Found in leaf (BTO:0000713). Found in leaf oil See: PubMed
Isodon rubescens (NCBI:txid58766)	Found in leaf (BTO:0000713). See: PubMed
Thuja standishii (NCBI:txid89194)	See: J. Pharm. Soc. Japan, 1970, v91, 664

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

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. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

ChEBI Ontology
Outgoing	nezukol (CHEBI:138166) has role antioxidant (CHEBI:22586) nezukol (CHEBI:138166) has role plant metabolite (CHEBI:76924) nezukol (CHEBI:138166) has role volatile oil component (CHEBI:27311) nezukol (CHEBI:138166) is a carbotricyclic compound (CHEBI:38032) nezukol (CHEBI:138166) is a isopimarane diterpenoid (CHEBI:138429) nezukol (CHEBI:138166) is a olefinic compound (CHEBI:78840) nezukol (CHEBI:138166) is a tertiary alcohol (CHEBI:26878)

IUPAC Name

(13α)-pimar-15-en-8-ol

Citations

Last Modified

14 September 2017