(2E,6E)-hedycaryol (CHEBI:138043)

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CHEBI:138043 - (2E,6E)-hedycaryol

ChEBI ID	CHEBI:138043
ChEBI Name	(2E,6E)-hedycaryol
Stars
ASCII Name	(2E,6E)-hedycaryol
Definition	A germacrane sesquiterpenoid that is germacra-1(10),4-diene carrying an additional hydroxy substituent at position 11.
Last Modified	3 August 2020
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C15H26O
Net Charge	0
Average Mass	222.372
Monoisotopic Mass	222.19837
SMILES	C/C1=C\C[C@H](C(C)(C)O)CC/C(C)=C/CC1
InChI	InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6+,13-9+/t14-/m1/s1
InChIKey	SDMLCXJKAYFHQM-MKJLVJGCSA-N

Species of Metabolite	Component	Source	Comments
Camellia brevistyla (ncbitaxon:296050)	flower (BTO:0000469)	PubMed (26744017)
Zingiber officinale (ncbitaxon:94328)	-	PubMed (23272109)	Isolated from the essential oil
Cymbopogon validus (IPNI:397032-1)
	flower (BTO:0000469)	PubMed (27261849)
	leaf (BTO:0000713)	PubMed (27261849)
Xanthocyparis vietnamensis (ncbitaxon:257623)	leaf (BTO:0000713)	PubMed (27355937)
Citrus hystrix (ncbitaxon:170989)	leaf (BTO:0000713)	PubMed (28930124)
Curcuma longa (ncbitaxon:136217)	-	PubMed (23272109)	Isolated from the essential oil

Roles Classification

Biological Roles:

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

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)
	(2E,6E)-hedycaryol (CHEBI:138043) has role plant metabolite (CHEBI:76924)
	(2E,6E)-hedycaryol (CHEBI:138043) has role volatile oil component (CHEBI:27311)
	(2E,6E)-hedycaryol (CHEBI:138043) is a germacrane sesquiterpenoid (CHEBI:68588)
	(2E,6E)-hedycaryol (CHEBI:138043) is a tertiary alcohol (CHEBI:26878)

IUPAC Name
2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol

Synonyms	Source
(1E,4E,7R)-germacra-1(10),4-dien-11-ol	ChEBI
(+)-hedycaryol	ChEBI

UniProt Name	Source
(2E,6E)-hedycaryol	UniProt

Manual Xrefs	Databases
CPD-20143	MetaCyc

Registry Numbers	Sources
Reaxys:2258683	Reaxys

Citations