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

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ChEBI Name 4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside)
ChEBI ID CHEBI:186613
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H36O11
Net Charge 0
Average Mass 644.673
Monoisotopic Mass 644.22576
InChI InChI=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
InChIKey ZJTGUFCATXASHE-RLPIUGCOSA-N
SMILES O1C([C@@H](O)[C@H](O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)[C@@H]1OC3=CC=4OC=C(C(=O)C4C=C3)C5=CC(=C(OC)C=C5)CC=C(C)C)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
(via acrovestone )
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.
(via acrovestone )
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.
(via acrovestone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
24842685 ChemSpider
LMPK12050012 LIPID MAPS
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