Showing entry for trans-4'',5-dihydroxy-3-methoxystilbene-5-O-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042550
Compound Nametrans-4'',5-dihydroxy-3-methoxystilbene-5-O-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside
Structure
FormulaC27H34O12
InchiKeyXKRQDCRMDCIEEB-MQKVEOCDSA-N
SMILESCOc1cc(cc(c1)/C=C/c1ccc(cc1)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
InchiInChI=1S/C27H34O12/c1-13-20(29)22(31)24(33)26(37-13)36-12-19-21(30)23(32)25(34)27(39-19)38-18-10-15(9-17(11-18)35-2)4-3-14-5-7-16(28)8-6-14/h3-11,13,19-34H,12H2,1-2H3/b4-3+/t13-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
IUPAC(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
Molecular Weight550.21
Pubchem Id11168830
Chembl IdCHEMBL477753
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50259882
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT010602 Xanthine dehydrogenase/oxidase reviewed Enzyme XDH - 129000 - -
CHEMBL CHEMBL477753
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P48147 BXGT010620 Prolyl endopeptidase reviewed Enzyme PREP Activity - - -
P47989 BXGT010602 Xanthine dehydrogenase/oxidase reviewed Enzyme XDH IC50 '=' 129000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00971 Boswellia papyrifera Boswellia papyrifera Human Edible Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease