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CHEBI:186613 - 4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside)

Default Structure
ChEBI IDCHEBI:186613
ChEBI Name4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O11
Net Charge0
Average Mass644.673
Monoisotopic Mass644.22576
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4OC(=O)/C=C/c4ccc(O)cc4)ccc3c2=O)cc1CC=C(C)C
InChIInChI=1S/C36H36O11/c1-20(2)4-8-23-16-22(9-14-28(23)43-3)27-19-44-29-17-25(12-13-26(29)32(27)40)45-36-35(34(42)33(41)30(18-37)46-36)47-31(39)15-7-21-5-10-24(38)11-6-21/h4-7,9-17,19,30,33-38,41-42H,8,18H2,1-3H3/b15-7+/t30?,33-,34+,35?,36-/m1/s1
InChIKeyZJTGUFCATXASHE-RLPIUGCOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) (CHEBI:186613) is a acrovestone (CHEBI:2440)
4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) (CHEBI:186613) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]-4-oxochromen-7-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
24842685ChemSpider
LMPK12050012LIPID MAPS