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CHEBI:65653 - conferol A

ChEBI IDCHEBI:65653
ChEBI Nameconferol A
Stars
DefinitionA member of the class of isoflavans that is isoflavan with hydroxy substituents at positions 4, 7 and 4' and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay.
Last Modified13 November 2013
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILES[H][C@@]1(c2ccc(O)cc2OC)COc2cc(O)ccc2[C@H]1O
InChIInChI=1S/C16H16O5/c1-20-14-6-9(17)2-4-11(14)13-8-21-15-7-10(18)3-5-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16+/m0/s1
InChIKeyILYFLNKVHSPXAN-XJKSGUPXSA-N
Species of MetaboliteComponentSourceComments
caragana conferta (ncbitaxon:626677) whole plant (BTO:0001461) PubMed (19336940)
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:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
conferol A (CHEBI:65653) has role anti-inflammatory agent (CHEBI:67079)
conferol A (CHEBI:65653) has role metabolite (CHEBI:25212)
conferol A (CHEBI:65653) is a hydroxyisoflavans (CHEBI:76250)
conferol A (CHEBI:65653) is a monomethoxybenzene (CHEBI:25235)
conferol A (CHEBI:65653) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3R,4S)-3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
Registry NumbersSources
Reaxys:19728201Reaxys
Citations