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CHEBI:109 - (−)-phaseollinisoflavan

ChEBI IDCHEBI:109
ChEBI Name(−)-phaseollinisoflavan
Stars
ASCII Name(-)-phaseollinisoflavan
DefinitionA member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively.
Last Modified7 July 2015
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILESCC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4C3)c2O)O1
InChIInChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKeyUUJBHSNXZMGYBT-ZDUSSCGKSA-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)
(−)-phaseollinisoflavan (CHEBI:109) has role plant metabolite (CHEBI:76924)
(−)-phaseollinisoflavan (CHEBI:109) is a hydroxyisoflavans (CHEBI:76250)
Incoming Relation(s)
2'-O-methylphaseollinisoflavan (CHEBI:85117) has functional parent (−)-phaseollinisoflavan (CHEBI:109)
IUPAC Name 
(3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol
Manual XrefsDatabases
C10515KEGG COMPOUND
C00002560KNApSAcK
Registry NumbersSources
Reaxys:7939399Reaxys
CAS:40323-57-7KEGG COMPOUND