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CHEBI:142536 - 7-epi-ent-eudesmane-5,11-diol

ChEBI IDCHEBI:142536
ChEBI Name7-epi-ent-eudesmane-5,11-diol
Stars
ASCII Name7-epi-ent-eudesmane-5,11-diol
DefinitionA carbobicyclic compound that is decahydronaphthalene substituted at positions 2, 4a, 8 and 8a by 2-hydroxypropan-2-yl, methyl, methyl and hydroxy groups, respectively. The (3R,4aS,5S,8aS) stereoisomer.
Last Modified16 November 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H28O2
Net Charge0
Average Mass240.387
Monoisotopic Mass240.20893
SMILESC[C@H]1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@]12O
InChIInChI=1S/C15H28O2/c1-11-6-5-8-14(4)9-7-12(13(2,3)16)10-15(11,14)17/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKeyDUMZYTYPNQNWMU-NEBZKDRISA-N
Species of MetaboliteComponentSourceComments
Cymbopogon distans (ncbitaxon:152208) whole plant (BTO:0001461) Article (Mathela, C.S., Melkani, A.B., Pant, A., Dev, V., Nelson, T.E., Hope, H. and Bottini, A.T. (1989) A eudesmanediol from Cymbopogon distans. Phytochemistry, 28(3), 936-938.) Isolated from essential oil of plant.
Streptomyces anulatus (ncbitaxon:1892) - PubMed (29314238)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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)
7-epi-ent-eudesmane-5,11-diol (CHEBI:142536) has role bacterial metabolite (CHEBI:76969)
7-epi-ent-eudesmane-5,11-diol (CHEBI:142536) has role plant metabolite (CHEBI:76924)
7-epi-ent-eudesmane-5,11-diol (CHEBI:142536) is a carbobicyclic compound (CHEBI:36785)
7-epi-ent-eudesmane-5,11-diol (CHEBI:142536) is a diol (CHEBI:23824)
7-epi-ent-eudesmane-5,11-diol (CHEBI:142536) is a eudesmane sesquiterpenoid (CHEBI:62508)
7-epi-ent-eudesmane-5,11-diol (CHEBI:142536) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3R,4aS,5S,8aS)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyloctahydronaphthalen-4a(2H)-ol
Synonyms  Source
(4β,5β,7β,10α)-5,11-eudesmanediolChEBI
eudesmane-2,11-diolChEBI
UniProt Name  Source
7-epi-ent-eudesmane-5,11-diolUniProt
Manual XrefsDatabases
CPD-21651MetaCyc
Registry NumbersSources
Reaxys:6966076Reaxys
Citations