3'-deoxyepisappanol (CHEBI:69198)

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ChEBI Name	3'-deoxyepisappanol

ChEBI ID	CHEBI:69198

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

C16H16O5

Net Charge

Average Mass

288.29520

Monoisotopic Mass

288.09977

InChI

InChI=1S/C16H16O5/c17-11-3-1-10(2-4-11)8-16(20)9-21-14-7-12(18)5-6-13(14)15(16)19/h1-7,15,17-20H,8-9H2/t15-,16-/m1/s1

InChIKey

IYAYKNOVHBOSPH-HZPDHXFCSA-N

SMILES

O[C@@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(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'-deoxyepisappanol (CHEBI:69198) has role plant metabolite (CHEBI:76924) 3'-deoxyepisappanol (CHEBI:69198) is a homoisoflavonoid (CHEBI:86008) 3'-deoxyepisappanol (CHEBI:69198) is a polyphenol (CHEBI:26195)

IUPAC Name

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

Registry Number	Type	Source
6066395	Reaxys Registry Number	Reaxys

Citation	Type	Source
21800859	PubMed citation	Europe PMC

Last Modified

12 June 2015