CHEBI:80392 - (−)-vestitol

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ChEBI Name (−)-vestitol
ChEBI ID CHEBI:80392
ChEBI ASCII Name (-)-vestitol
Definition A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4' and hydroxy groups at positions 7 and 2' respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H16O4
Net Charge 0
Average Mass 272.29580
Monoisotopic Mass 272.10486
InChI InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1
InChIKey XRVFNNUXNVWYTI-NSHDSACASA-N
SMILES COc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1
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.
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ChEBI Ontology
Outgoing (−)-vestitol (CHEBI:80392) has parent hydride (R)-isoflavan (CHEBI:36101)
(−)-vestitol (CHEBI:80392) has role plant metabolite (CHEBI:76924)
(−)-vestitol (CHEBI:80392) is a hydroxyisoflavans (CHEBI:76250)
(−)-vestitol (CHEBI:80392) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name
(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Manual Xrefs Databases
C00019387 KNApSAcK
C16225 KEGG COMPOUND
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Registry Numbers Types Sources
35878-41-2 CAS Registry Number ChemIDplus
6068457 Reaxys Registry Number Reaxys
Last Modified
18 June 2015