CHEBI:138040 - 7-epi-α-eudesmol

ChEBI IDCHEBI:138040
ChEBI Name7-epi-α-eudesmol
Stars
ASCII Name7-epi-alpha-eudesmol
DefinitionA eudesmane sesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11 and has a double bond between C-3 and C-4.
Last Modified12 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H26O
Net Charge0
Average Mass222.372
Monoisotopic Mass222.19837
SMILES[H][C@@]12C[C@@H](C(C)(C)O)CC[C@@]1(C)CCC=C2C
InChIInChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
InChIKeyFCSRUSQUAVXUKK-KCQAQPDRSA-N
Species of MetaboliteComponentSourceComments
Cymbopogon distans (ncbitaxon:152208) leaf (BTO:0000713) DOI (10.1080/10412905.1996.9700577) Isolated from the leaf oil
Callicarpa americana (ncbitaxon:204211) - PubMed (10898657) Isolated from the essential oil
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)
7-epi-α-eudesmol (CHEBI:138040) has role plant metabolite (CHEBI:76924)
7-epi-α-eudesmol (CHEBI:138040) has role volatile oil component (CHEBI:27311)
7-epi-α-eudesmol (CHEBI:138040) is a eudesmane sesquiterpenoid (CHEBI:62508)
7-epi-α-eudesmol (CHEBI:138040) is a octahydronaphthalenes (CHEBI:138397)
7-epi-α-eudesmol (CHEBI:138040) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
2-[(2S,4aR,8aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propan-2-ol
Synonyms  Source
[2S-(2alpha,4abeta,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-alpha,alpha,4a,8-tetramethyl-2-naphthalenemethanolKNApSAcK
7-epi-alpha-EudesmolKNApSAcK
UniProt Name  Source
7-epi-α-eudesmolUniProt
Manual XrefsDatabases
CPD-20134MetaCyc
C00012803KNApSAcK
Registry NumbersSources
Reaxys:2804298Reaxys
CAS:123123-38-6KNApSAcK
Citations