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CHEBI:141218 - germacrene D-4-ol

ChEBI IDCHEBI:141218
ChEBI Namegermacrene D-4-ol
Stars
DefinitionA germacrane sesquiterpenoid that is germacrene D in which the exocyclic double bond has undergone formal addition of water to afford the corresponding tertiary alcohol.
Last Modified10 July 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILESC/C1=C\CCC(C)(O)/C=C/C(C(C)C)CC1
InChIInChI=1S/C15H26O/c1-12(2)14-8-7-13(3)6-5-10-15(4,16)11-9-14/h6,9,11-12,14,16H,5,7-8,10H2,1-4H3/b11-9+,13-6+
InChIKeyRHCTXHCNRLCYBN-BMCYRRRCSA-N
Species of MetaboliteComponentSourceComments
Chaerophyllum temulum (ncbitaxon:105274) - PubMed (26434137) essential oil from fruit
Roles Classification
Biological Roles:
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 Relation(s)
germacrene D-4-ol (CHEBI:141218) has role plant metabolite (CHEBI:76924)
germacrene D-4-ol (CHEBI:141218) has role volatile oil component (CHEBI:27311)
germacrene D-4-ol (CHEBI:141218) is a alicyclic compound (CHEBI:33654)
germacrene D-4-ol (CHEBI:141218) is a germacrane sesquiterpenoid (CHEBI:68588)
germacrene D-4-ol (CHEBI:141218) is a olefinic compound (CHEBI:78840)
germacrene D-4-ol (CHEBI:141218) is a tertiary allylic alcohol (CHEBI:134397)
IUPAC Name 
(2E,7E)-1,7-dimethyl-4-(propan-2-yl)cyclodeca-2,7-dien-1-ol
Synonyms  Source
germacrene-D-4-olChEBI
germacra-1(10),5-dien-4-olChEBI
Registry NumbersSources
Reaxys:28909058Reaxys
Citations