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CHEBI:140122 - 5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside

ChEBI IDCHEBI:140122
ChEBI Name5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside
Stars
ASCII Name5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside
Last Modified13 February 2018
Submittermwilliams
DownloadsMolfile
FormulaC31H38O15
Net Charge0
Average Mass650.630
Monoisotopic Mass650.22107
SMILESCOc1ccc(-c2coc3c(C)c(OC)cc(O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)c3c2=O)cc1OC
InChIInChI=1S/C31H38O15/c1-12-17(40-4)9-19(21-23(34)15(11-42-28(12)21)14-6-7-16(39-3)18(8-14)41-5)44-31-29(26(37)24(35)20(10-32)45-31)46-30-27(38)25(36)22(33)13(2)43-30/h6-9,11,13,20,22,24-27,29-33,35-38H,10H2,1-5H3/t13?,20?,22-,24+,25?,26?,27-,29-,30-,31+/m0/s1
InChIKeyHBIBVIWVUMZFQY-LJNUEMFWSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
ChEBI Ontology
Outgoing Relation(s)
5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside (CHEBI:140122) is a acrovestone (CHEBI:2440)
5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside (CHEBI:140122) is a isoflavonoid (CHEBI:50753)
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