NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBrunneogaleatoside
NPACT-IdNPACT01151
IUPAC-
Synonyms-
PubChem Id45027872
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWDVZASUHGJGVQO-WNSOISRNSA-N
InChi1S/C27H34O13/c1-27(34)11-10-15-18(23(33)35-2)24(36-3)39-25(19(15)27)40-26-22(32)21(31)20(30)16(38-26)12-37-17(29)9-6-13-4-7-14(28)8-5-13/h4-9,16,19-22,24-26,28,30-32,34H,10-12H2,1-3H3/b9-6+/t16?,19?,20?,21?,22?,24-,25+,26?,27+/m1/s1
SMILESO1[C@@H](OC2OC(C(O)C(O)C2O)COC(=O)/C=C/c2ccc(O)cc2)C2[C@@](O)(CCC2=C([C@@H]1OC)C(=O)OC)C
SMART[H]OC1=C([H])C([H])=C(C([H])=C(/[H])C(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@]3([H])O[C@@]([H])(OC([H])([H])[H])C(C(=O)OC([H])([H])[H])=C4C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])[C@]34[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.