NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPhysagulin D
NPACT-IdNPACT00865
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyUZQGHXNAVJYZOT-PVACNLELSA-N
InChi1S/C35H54O10/c1-17-13-26(44-32(42)21(17)10-12-36)18(2)23-7-8-24-22-6-5-19-14-20(43-33-31(41)30(40)29(39)27(16-37)45-33)15-28(38)35(19,4)25(22)9-11-34(23,24)3/h5,18,20,22-31,33,36-41H,6-16H2,1-4H3/t18-,20+,22-,23+,24-,25-,26+,27-,28-,29-,30+,31+,33-,34+,35
SMILES[C@@H]1(C[C@@H](CC2=CC[C@@H]3[C@@H]([C@@]12C)CC[C@@]1([C@H](CC[C@@H]31)[C@@H]([C@H]1CC(=C(C(=O)O1)CCO)C)C)C)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O
SMART[#6][C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C[C@H](O)[C@]4([#6])[C@H]3CC[C@]12[#6])O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)[C@H]1CC([#6])=C(CCO)C(=O)O1
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.