NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundtoxicarioside M
NPACT-IdNPACT01086
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMUZZZTYCQHDJQH-KPRLPBKXSA-N
InChi1S/C28H42O10/c1-14-21(30)22(31)23(32)24(37-14)38-16-3-9-28(35)19-4-7-25(2)17(15-11-20(29)36-13-15)6-10-27(25,34)18(19)5-8-26(28,33)12-16/h11,14,16-19,21-24,30-35H,3-10,12-13H2,1-2H3/t14-,16?,17+,18?,19?,21-,22+,23-,24+,25+,26-,27-,28?/m0/s1
SMILESC1CC(C[C@@]2(C1(C1C(CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)O)O)O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O
SMART[#6][C@@H]1O[C@H](OC2CCC3(O)C4CC[C@]5([#6])[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@@H](O)[C@H](O)[C@H]1O
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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