EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:65654 - conferol B

ChEBI IDCHEBI:65654
ChEBI Nameconferol B
Stars
DefinitionA member of the class of isoflavans that is isoflavan with a hydroxy group at position 4, a methyl group at position 7 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 Modified16 January 2014
DownloadsMolfile
FormulaC17H18O3
Net Charge0
Average Mass270.328
Monoisotopic Mass270.12559
SMILES[H][C@@]1(c2ccccc2OC)COc2cc(C)ccc2[C@H]1O
InChIInChI=1S/C17H18O3/c1-11-7-8-13-16(9-11)20-10-14(17(13)18)12-5-3-4-6-15(12)19-2/h3-9,14,17-18H,10H2,1-2H3/t14-,17+/m0/s1
InChIKeyVQOQOBSDPFOCSL-WMLDXEAASA-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 B (CHEBI:65654) has role anti-inflammatory agent (CHEBI:67079)
conferol B (CHEBI:65654) has role metabolite (CHEBI:25212)
conferol B (CHEBI:65654) is a hydroxyisoflavans (CHEBI:76250)
conferol B (CHEBI:65654) is a methoxyisoflavan (CHEBI:77002)
conferol B (CHEBI:65654) is a monomethoxybenzene (CHEBI:25235)
conferol B (CHEBI:65654) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3R,4S)-3-(2-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-4-ol
Registry NumbersSources
Reaxys:19728199Reaxys
Citations