3'-deoxysappanol (CHEBI:69197)

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ChEBI Name	3'-deoxysappanol

ChEBI ID	CHEBI:69197

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,4S-stereoisomer). 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

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+/m0/s1

InChIKey

IYAYKNOVHBOSPH-JKSUJKDBSA-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'-deoxysappanol (CHEBI:69197) has role plant metabolite (CHEBI:76924) 3'-deoxysappanol (CHEBI:69197) is a homoisoflavonoid (CHEBI:86008) 3'-deoxysappanol (CHEBI:69197) is a polyphenol (CHEBI:26195)

IUPAC Name

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

Registry Number	Type	Source
6066396	Reaxys Registry Number	Reaxys

Citation	Type	Source
21800859	PubMed citation	Europe PMC

Last Modified

12 June 2015