3-deoxysappanone B (CHEBI:69199)

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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

Download	Molfile XML SDF

Formula

C16H14O5

Net Charge

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.

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