EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168866 - 5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside

ChEBI IDCHEBI:168866
ChEBI Name5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38O15
Net Charge0
Average Mass650.630
Monoisotopic Mass650.22107
SMILESCOc1ccc(-c2coc3c(C)c(OC)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)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
InChIKeyHBIBVIWVUMZFQY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
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.
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)
5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside (CHEBI:168866) is a acrovestone (CHEBI:2440)
5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside (CHEBI:168866) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3-(3,4-dimethoxyphenyl)-7-methoxy-8-methylchromen-4-one
Manual XrefsDatabases
HMDB0030627HMDB