CHEBI:69201 - 3'-deoxysappanone B

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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
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Formula C16H14O5
Net Charge 0
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.
View more via ChEBI Ontology
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 Waiting for Citations Type Source
21800859 PubMed citation Europe PMC
Last Modified
06 February 2018