CHEBI:68151 - (-)-Acorenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (-)-Acorenone
ChEBI ID CHEBI:68151
Definition A natural product found in Acorus calamus.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C15H24O
Net Charge 0
Average Mass 220.35050
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1
InChIKey HBTHUBMUAHAWBC-YDHLFZDLSA-N
SMILES CC(C)[C@@H]1CC[C@H](C)[C@@]11CC=C(C)C(=O)C1
Metabolite of Species Details
Acorus calamus (NCBI:txid4465) Found in rhizome (BTO:0001181). Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (-)-Acorenone (CHEBI:68151) has role metabolite (CHEBI:25212)
(-)-Acorenone (CHEBI:68151) is a enol ether (CHEBI:47985)
(-)-Acorenone (CHEBI:68151) is a enone (CHEBI:51689)
Synonym Source
(1S,4S,5S)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-one ChEBI
Citation Waiting for Citations Type Source
21563811 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclic ketone(CHEBI:3992);