7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244)

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ChEBI Name	7,3'-dihydroxy-4'-methoxy-8-methylflavan

ChEBI ID	CHEBI:2244

Definition	A hydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a methyl group at position 8.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O4

Net Charge

Average Mass

286.32240

Monoisotopic Mass

286.12051

InChI

InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1

InChIKey

XVHKLOFEZNFSRF-HNNXBMFYSA-N

SMILES

COc1ccc(cc1O)[C@@H]1CCc2ccc(O)c(C)c2O1

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	7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) has parent hydride (2S)-flavan (CHEBI:36103) 7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) has role plant metabolite (CHEBI:76924) 7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) is a hydroxyflavan (CHEBI:72010) 7,3'-dihydroxy-4'-methoxy-8-methylflavan (CHEBI:2244) is a methoxyflavan (CHEBI:72585)

IUPAC Name

(2S)-2-(3-hydroxy-4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-1-benzopyran-7-ol

Last Modified

02 June 2015