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CHEBI:115 - (−)-sativan

ChEBI IDCHEBI:115
ChEBI Name(−)-sativan
Stars
ASCII Name(-)-sativan
DefinitionA methoxyisoflavan that is (R)-isoflavan substituted by methoxy groups at positions 2' and 4' and a hydroxy group at position 7.
Last Modified18 June 2015
DownloadsMolfile
FormulaC17H18O4
Net Charge0
Average Mass286.327
Monoisotopic Mass286.12051
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3C2)c(OC)c1
InChIInChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
InChIKeyTUXCLJQCYVCGDW-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Baphia nitida (ncbitaxon:162666) - DOI (10.1016/0031-9422(92)80059-N)
Roles Classification
Biological Role:
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 Relation(s)
(−)-sativan (CHEBI:115) has parent hydride (R)-isoflavan (CHEBI:36101)
(−)-sativan (CHEBI:115) has role plant metabolite (CHEBI:76924)
(−)-sativan (CHEBI:115) is a hydroxyisoflavans (CHEBI:76250)
(−)-sativan (CHEBI:115) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name 
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Synonyms  Source
(3R)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-olChemIDplus
sativinChemIDplus
2-hydroxy-2',4'-dimethoxyisoflavanChEBI
Manual XrefsDatabases
C10526KEGG COMPOUND
C00002570KNApSAcK
Registry NumbersSources
Reaxys:1397593Reaxys
CAS:41743-86-6KEGG COMPOUND
CAS:41743-86-6ChemIDplus