NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound27-O-h-D-glucopyranosylviscosalactone B
NPACT-IdNPACT00088
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAJWQQZIFWOFRRM-MKQHPUIBSA-N
InChi1S/C37H66O8/c1-3-4-5-10-13-16-29(38)19-20-32(41)34-22-24-36(45-34)35-23-21-33(44-35)31(40)18-15-12-9-7-6-8-11-14-17-30(39)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29-,30+,31+,32-,33+,34+,35+,36+/m0/s1
SMILESC1(=O)C[C@@H]([C@@H]([C@]23[C@]1([C@@H]1[C@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@H]([C@@H]1CC(=C(C(=O)O1)CON[C@@H](CCC(=O)O)C=O)C)C)C)C)O)O
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(CON[C@@H](CCC(O)=O)C=O)C(=O)O1
CAS No.126005-94-5
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.