CHEBI:80393 - 2',7-dihydroxy-4',5'-methylenedioxyisoflavone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2',7-dihydroxy-4',5'-methylenedioxyisoflavone
ChEBI ID CHEBI:80393
Definition A pseudobaptigenin that is pseudobaptigenin substituted by a hydroxy groups at position 2'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H10O6
Net Charge 0
Average Mass 298.24700
Monoisotopic Mass 298.04774
InChI InChI=1S/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-18H,7H2
InChIKey WMDDXGLVVGBJSO-UHFFFAOYSA-N
SMILES Oc1ccc2c(c1)occ(-c1cc3OCOc3cc1O)c2=O
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 2',7-dihydroxy-4',5'-methylenedioxyisoflavone (CHEBI:80393) has functional parent pseudobaptigenin (CHEBI:8602)
2',7-dihydroxy-4',5'-methylenedioxyisoflavone (CHEBI:80393) has role plant metabolite (CHEBI:76924)
2',7-dihydroxy-4',5'-methylenedioxyisoflavone (CHEBI:80393) is a benzodioxoles (CHEBI:38298)
2',7-dihydroxy-4',5'-methylenedioxyisoflavone (CHEBI:80393) is a hydroxyisoflavone (CHEBI:38755)
IUPAC Name
7-hydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one
Synonyms Sources
2-Hydroxypseudobaptigenin LIPID MAPS
DMI KEGG COMPOUND
Manual Xrefs Databases
C00000649 KNApSAcK
C16226 KEGG COMPOUND
LMPK12050082 LIPID MAPS
View more database links
Registry Number Type Source
1398467 Reaxys Registry Number Reaxys
Last Modified
22 June 2015