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

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ChEBI Name (2E,6E)-hedycaryol
ChEBI ID CHEBI:138043
ChEBI ASCII Name (2E,6E)-hedycaryol
Definition A germacrane sesquiterpenoid that is germacra-1(10),4-diene carrying an additional hydroxy substituent at position 11.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.367
Monoisotopic Mass 222.19837
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
SMILES C1[C@@H](CCC(=CCCC(=C1)C)C)C(O)(C)C
Metabolite of Species Details
Cymbopogon validus (IPNI:397032-1) Found in flower (BTO:0000469). See: PubMed
Cymbopogon validus (IPNI:397032-1) Found in leaf (BTO:0000713). See: PubMed
Curcuma longa (NCBI:txid136217) Isolated from the essential oil See: PubMed
Citrus hystrix (NCBI:txid170989) Found in leaf (BTO:0000713). See: PubMed
Xanthocyparis vietnamensis (NCBI:txid257623) Found in leaf (BTO:0000713). See: PubMed
Camellia brevistyla (NCBI:txid296050) Found in flower (BTO:0000469). See: PubMed
Zingiber officinale (NCBI:txid94328) Isolated from the essential oil 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.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(+)-hedycaryol ChEBI
(1E,4E,7R)-germacra-1(10),4-dien-11-ol ChEBI
(2E,6E)-hedycaryol UniProt
Manual Xref Database
CPD-20143 MetaCyc
View more database links
Registry Number Type Source
2258683 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23272109 PubMed citation SUBMITTER
26744017 PubMed citation SUBMITTER
27261849 PubMed citation Europe PMC
27355937 PubMed citation Europe PMC
28930124 PubMed citation Europe PMC
Last Modified
13 October 2017