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CHEBI:69199 - 3-deoxysappanone B

ChEBI IDCHEBI:69199
ChEBI Name3-deoxysappanone B
Stars
DefinitionA homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by a hydroxy group at position 7 and a (3,4-dihydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoiosmer). it has been isolated from Caesalpinia sappan.
Last Modified12 June 2015
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESO=C1c2ccc(O)cc2OC[C@H]1Cc1ccc(O)c(O)c1
InChIInChI=1S/C16H14O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-4,6-7,10,17-19H,5,8H2/t10-/m1/s1
InChIKeyKCUXSQJYIWEGRG-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Caesalpinia sappan (ncbitaxon:483143) heartwood (PO:0004512) PubMed (21800859) Methanolic extract of dried heart wood of C.sappan(Caesalpinia001)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-deoxysappanone B (CHEBI:69199) has role plant metabolite (CHEBI:76924)
3-deoxysappanone B (CHEBI:69199) is a homoisoflavonoid (CHEBI:86008)
3-deoxysappanone B (CHEBI:69199) is a polyphenol (CHEBI:26195)
IUPAC Name 
(3R)-3-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one
Registry NumbersSources
Reaxys:6065876Reaxys
Citations