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CHEBI:65795 - (2S)-5,7-dimethoxy-8-formylflavanone

ChEBI IDCHEBI:65795
ChEBI Name(2S)-5,7-dimethoxy-8-formylflavanone
Stars
ASCII Name(2S)-5,7-dimethoxy-8-formylflavanone
DefinitionA dimethoxyflavanone that is 5,7-dimethoxyflavanone substituted by a formyl group at position 8. Isolated from the stem bark of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.
Last Modified11 March 2013
DownloadsMolfile
FormulaC18H16O5
Net Charge0
Average Mass312.321
Monoisotopic Mass312.09977
SMILESCOc1cc(OC)c2c(c1C=O)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C18H16O5/c1-21-15-9-16(22-2)17-13(20)8-14(11-6-4-3-5-7-11)23-18(17)12(15)10-19/h3-7,9-10,14H,8H2,1-2H3/t14-/m0/s1
InChIKeyFHKQMPVRIQJSEJ-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Pongamia pinnata (ncbitaxon:56065) stem (BTO:0001300) PubMed (14510596) Previous component: stem bark;
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(2S)-5,7-dimethoxy-8-formylflavanone (CHEBI:65795) has role antineoplastic agent (CHEBI:35610)
(2S)-5,7-dimethoxy-8-formylflavanone (CHEBI:65795) has role metabolite (CHEBI:25212)
(2S)-5,7-dimethoxy-8-formylflavanone (CHEBI:65795) is a aldehyde (CHEBI:17478)
(2S)-5,7-dimethoxy-8-formylflavanone (CHEBI:65795) is a dimethoxyflavanone (CHEBI:38743)
IUPAC Name 
(2S)-5,7-dimethoxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
Registry NumbersSources
Reaxys:9786124Reaxys
Citations