3'-deoxysappanone B (CHEBI:69201)

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ChEBI Name	3'-deoxysappanone B

ChEBI ID	CHEBI:69201

Definition	A homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by hydroxy groups at positions 3 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoisomer). 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

Average Mass

286.27940

Monoisotopic Mass

286.08412

InChI

InChI=1S/C16H14O5/c17-11-3-1-10(2-4-11)8-16(20)9-21-14-7-12(18)5-6-13(14)15(16)19/h1-7,17-18,20H,8-9H2/t16-/m1/s1

InChIKey

PLLFWTNDXCAINR-MRXNPFEDSA-N

SMILES

Oc1ccc(C[C@@]2(O)COc3cc(O)ccc3C2=O)cc1

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:69201) has role plant metabolite (CHEBI:76924) 3'-deoxysappanone B (CHEBI:69201) is a homoisoflavonoid (CHEBI:86008) 3'-deoxysappanone B (CHEBI:69201) is a polyphenol (CHEBI:26195) 3'-deoxysappanone B (CHEBI:69201) is a tertiary α-hydroxy ketone (CHEBI:139592)

IUPAC Name

(3R)-3,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydro-4H-1-benzopyran-4-one

Registry Number	Type	Source
5969920	Reaxys Registry Number	Reaxys

Citation	Type	Source
21800859	PubMed citation	Europe PMC

Last Modified

06 February 2018