EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233555 - methyllinderone

ChEBI IDCHEBI:233555
ChEBI Namemethyllinderone
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC17H16O5
Net Charge0
Average Mass300.310
Monoisotopic Mass300.09977
SMILES[H]/C(C(OC)=C1C(=O)C(OC)=C(OC)C1=O)=C(/[H])c1ccccc1
InChIInChI=1S/C17H16O5/c1-20-12(10-9-11-7-5-4-6-8-11)13-14(18)16(21-2)17(22-3)15(13)19/h4-10H,1-3H3/b10-9+
InChIKeyKXRUALBXWXRUTD-MDZDMXLPSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Lindera erythrocarpa (ncbitaxon:128639) - PubMed (29937519)
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
methyllinderone (CHEBI:233555) has role anti-inflammatory drug (CHEBI:35472)
methyllinderone (CHEBI:233555) has role antineoplastic agent (CHEBI:35610)
methyllinderone (CHEBI:233555) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4,5-dimethoxy-2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
Manual XrefsDatabases
LMPK12120438LIPID MAPS
https://en.wikipedia.org/wiki/MethyllinderoneWikipedia
Registry NumbersSources
CAS:3984-73-4SUBMITTER
Citations