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CHEBI:133889 - eucommiol

ChEBI IDCHEBI:133889
ChEBI Nameeucommiol
Stars
DefinitionAn alicyclic compound that is cyclopent-3-en-1-ol carrying additional hydroxymethyl substituents at positions 3 and 4 as well as a 2-hydroxyethyl substituent at position 2 (the 1R,2R-diastereomer).
Last Modified29 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESOCC[C@@H]1C(CO)=C(CO)C[C@H]1O
InChIInChI=1S/C9H16O4/c10-2-1-7-8(5-12)6(4-11)3-9(7)13/h7,9-13H,1-5H2/t7-,9-/m1/s1
InChIKeyUALKMMWWGMFYEX-VXNVDRBHSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Eucommia ulmoides (ncbitaxon:4392) bark (BTO:0001301) PubMed (26767291)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
eucommiol (CHEBI:133889) has role plant metabolite (CHEBI:76924)
eucommiol (CHEBI:133889) has role sedative (CHEBI:35717)
eucommiol (CHEBI:133889) is a alicyclic compound (CHEBI:33654)
eucommiol (CHEBI:133889) is a primary allylic alcohol (CHEBI:134394)
eucommiol (CHEBI:133889) is a tetrol (CHEBI:33573)
IUPAC Name 
(1R,2R)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-ol
Manual XrefsDatabases
136004ChemSpider
C17878KEGG COMPOUND
C00010806KNApSAcK
Registry NumbersSources
CAS:55930-44-4KEGG COMPOUND
CAS:55930-44-4ChemIDplus
Citations