eucommiol (CHEBI:133889)

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ChEBI Name	eucommiol

ChEBI ID	CHEBI:133889

Definition	An 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C9H16O4

Net Charge

Average Mass

188.221

Monoisotopic Mass

188.10486

InChI

InChI=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

InChIKey

UALKMMWWGMFYEX-VXNVDRBHSA-N

SMILES

OCC=1[C@H]([C@@H](CC1CO)O)CCO

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.

Application(s):	sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
55930-44-4	CAS Registry Number	ChemIDplus

Last Modified

29 March 2017