CHEBI:69199 - 3-deoxysappanone B

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ChEBI Name 3-deoxysappanone B
ChEBI ID CHEBI:69199
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB21387988, ZINC000006090922
Download Molfile XML SDF
Formula C16H14O5
Net Charge 0
Average Mass 286.27940
Monoisotopic Mass 286.08412
InChI InChI=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
InChIKey KCUXSQJYIWEGRG-SNVBAGLBSA-N
SMILES Oc1ccc2C(=O)[C@H](Cc3ccc(O)c(O)c3)COc2c1
Metabolite of Species Details
Caesalpinia sappan (NCBI:txid483143) Found in heartwood (PO:0004512). Methanolic extract of dried heart wood of C.sappan(Caesalpinia001) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
6065876 Reaxys Registry Number Reaxys
Citation Type Source
21800859 PubMed citation Europe PMC
Last Modified
12 June 2015