Showing entry for n.a


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0045871
Compound Namen.a
Structure
FormulaC35H44O17
InchiKeyDAVSWEXXVXXTSA-VLTOYACXSA-N
SMILESCOc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)C)[C@H]([C@@H]([C@H]3O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)O)O)cc(c2c(=O)c1)O
InchiInChI=1S/C35H44O17/c1-13-14(2)47-33(30(43)25(13)38)46-12-23-27(40)29(42)32(52-34-31(44)28(41)26(39)15(3)48-34)35(51-23)49-18-9-19(36)24-20(37)11-21(50-22(24)10-18)16-5-7-17(45-4)8-6-16/h5-11,13-15,23,25-36,38-44H,12H2,1-4H3/t13-,14-,15-,23+,25+,26-,27+,28
IUPAC
Molecular Weight736.26
Pubchem Id44575351
Chembl IdCHEMBL448038
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 n.a
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
CHEMBL CHEMBL448038
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
P12527 BXGT007824 Arachidonate 5-lipoxygenase reviewed - Alox5 Inhibition '=' 0 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01184 Buddleja officinalis Buddleja officinalis Medicinal 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