CHEBI:85126 - 5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone

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ChEBI Name 5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone
ChEBI ID CHEBI:85126
Definition A methoxyisoflavone that is isoflavone substituted by methoxy groups at positions 5, 6, 7 and 8 and methylenedioxy group across positions 3' and 4'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H18O8
Net Charge 0
Average Mass 386.35210
Monoisotopic Mass 386.10017
InChI InChI=1S/C20H18O8/c1-22-16-14-15(21)11(10-5-6-12-13(7-10)28-9-27-12)8-26-17(14)19(24-3)20(25-4)18(16)23-2/h5-8H,9H2,1-4H3
InChIKey HWBCSFORKNCICS-UHFFFAOYSA-N
SMILES COc1c(OC)c(OC)c2c(occ(-c3ccc4OCOc4c3)c2=O)c1OC
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
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 5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone (CHEBI:85126) has role plant metabolite (CHEBI:76924)
5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone (CHEBI:85126) is a 7-methoxyisoflavones (CHEBI:140356)
5,6,7,8-tetramethoxy-3',4'-methylenedioxyisoflavone (CHEBI:85126) is a benzodioxoles (CHEBI:38298)
IUPAC Name
3-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
Registry Number Type Source
1409351 Reaxys Registry Number Reaxys
Last Modified
02 April 2018