NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJavanicoside C
NPACT-IdNPACT00692
IUPAC-
Synonyms-
PubChem Id11169890
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyITAQGRSJJGHHKP-ZAJWGGORSA-N
InChi1S/C32H40O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h6,8,15-16,19-26,28,33,36-40H,7,9-10H2,1-5H3/t15-,16-,19-,20+,21-,22-,23-,24-,25-,26+,28
SMILESO1[C@]2([C@H]3[C@]4([C@@H]([C@@]5(C(=C(C(=O)C(=C5)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C)C[C@H]4OC(=O)[C@@H]3OC(=O)C=C(C)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)OC
SMART[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])[C@]3(C(=C(C2=O)C([H])([H])[H])C([H])([H])[C@@]2([H])OC(=O)[C@]([H])(OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4([H])[C@@]5(OC([H])([H])[C@]24[C@]3([H])[C@@]([H])(O[H])[C@]5([H])O[H])C(=O)OC([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[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

 






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