NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundViscosalactone B
NPACT-IdNPACT01011
IUPAC-
Synonyms-
PubChem Id11409195
ClassSteroids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyWVMINIQLCDVTLH-YKIQOBDZSA-N
InChi1S/C28H40O7/c1-13-9-21(34-25(33)16(13)12-29)14(2)17-5-6-18-15-10-23-28(35-23)24(32)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32H,5-12H2,1-4H3/t14-,15?,17?,18?,19?,20-,21?,23+,24-,26+,27-,28-/m0/s1
SMILESO1[C@@]23[C@@]([C@@H]4[C@@H]([C@H]5[C@@]([C@H](CC5)[C@@H]([C@@H]5OC(=O)C(=C(C5)C)CO)C)(CC4)C)C[C@@H]12)(C(=O)C[C@H](O)[C@@H]3O)C
SMART[#6][C@@H]([C@H]1CC[C@H]2[C@H]3C[C@H]4O[C@]44[C@@H](O)[C@@H](O)CC(=O)[C@]4([#6])[C@H]3CC[C@]12[#6])[C@H]1CC([#6])=C(CO)C(=O)O1
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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