CHEBI:172145 - 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
ChEBI ID CHEBI:172145
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H22O
Net Charge 0
Average Mass 206.329
Monoisotopic Mass 206.16707
InChI InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
InChIKey VPKMGDRERYMTJX-CMDGGOBGSA-N
SMILES O=C(\C=C\C1C(CCC=C1C)(C)C)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one (CHEBI:172145) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
Manual Xrefs Databases
4521710 ChemSpider
HMDB0035245 HMDB
View more database links
Registry Number Type Source
127-42-4 CAS Registry Number ChemIDplus