(3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol (CHEBI:70191)

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ChEBI Name	(3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol

ChEBI ID	CHEBI:70191

ChEBI ASCII Name	(3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol

Definition	A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 6 and 3' and hydroxy groups at positions 4 and 4'. It has been isolated from Taxus yunnanensis and exhibits inhibitory activity against CYP3A4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O5

Net Charge

Average Mass

302.32180

Monoisotopic Mass

302.11542

InChI

InChI=1S/C17H18O5/c1-20-11-4-6-15-12(8-11)17(19)13(9-22-15)10-3-5-14(18)16(7-10)21-2/h3-8,13,17-19H,9H2,1-2H3/t13-,17+/m1/s1

InChIKey

ZBKQJCCSUWZZQH-DYVFJYSZSA-N

SMILES

COc1ccc2OC[C@@H]([C@@H](O)c2c1)c1ccc(O)c(OC)c1

Metabolite of Species	Details
Taxus yunnanensis (NCBI:txid147275)	Found in xylem (BTO:0001468). Previous component: wood; Aqueous extract of air-dried, powdered wood 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	(3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol (CHEBI:70191) has functional parent (S)-isoflavan (CHEBI:36100) (3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol (CHEBI:70191) has role plant metabolite (CHEBI:76924) (3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol (CHEBI:70191) is a hydroxyisoflavans (CHEBI:76250) (3S,4R)-4' hydroxy-6,3' dimethoxyisoflavan-4-ol (CHEBI:70191) is a methoxyisoflavan (CHEBI:77002)

IUPAC Name

(3S,4R)-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol

Registry Number	Type	Source
21220934	Reaxys Registry Number	Reaxys

Citation	Type	Source
21138310	PubMed citation	Europe PMC

Last Modified

13 October 2014