CHEBI:69581 - Paeonol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Paeonol
ChEBI ID CHEBI:69581
Definition A natural product found in Paeonia rockii subspeciesrockii.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:7890
Supplier Information ChemicalBook:CB3202179, eMolecules:36772339, ZINC000004104829
Download Molfile XML SDF
Formulae C9H10O3
C9H10O3
Net Charge 0
Average Mass 166.17390
Monoisotopic Mass 166.06299
InChI InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
InChIKey UILPJVPSNHJFIK-UHFFFAOYSA-N
SMILES COc1ccc(C(C)=O)c(O)c1
Metabolite of Species Details
Brassica napus (NCBI:txid3708) From MetaboLights See: MetaboLights Study
Paeonia rockii subsp. rockii (NCBI:txid459179) Found in root (BTO:0001188). Isolated from chloroform soluble extract of air-dried and powdered roots 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 Paeonol (CHEBI:69581) has role metabolite (CHEBI:25212)
Paeonol (CHEBI:69581) is a methoxybenzenes (CHEBI:51683)
Paeonol (CHEBI:69581) is a phenols (CHEBI:33853)
Synonyms Sources
1-(2-Hydroxy-4-methoxyphenyl)ethanone ChEBI
4-O-Methylresacetophenone ChEBI
Paeonol KEGG COMPOUND
Manual Xrefs Databases
C00002704 KNApSAcK
C10712 KEGG COMPOUND
LSM-24937 LINCS
View more database links
Registry Numbers Types Sources
552-41-0 CAS Registry Number KEGG COMPOUND
552-41-0 CAS Registry Number ChemIDplus
Citation Type Source
21954959 PubMed citation Europe PMC
Last Modified
25 February 2016
General Comment
2014-10-17 Suggested Classification: ISA:acetophenones(CHEBI:22187); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);