NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMefiavolkenin
NPACT-IdNPACT00762
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZFCQHJBQCVDJFV-URZNNFNSSA-N
InChi1S/C41H58O10/c1-22(42)48-32-20-30-37(3,4)31(51-35(45)24-13-11-10-12-14-24)21-33(49-23(2)43)41(30,9)29-17-18-39(7)26(15-16-28(39)40(29,32)8)25-19-27(50-36(25)46)34(44)38(5,6)47/h10-14,16,25-27,29-34,36,44,46-47H,15,17-21H2,1-9H3/t25-,26+,27+,29-,30-,31-,32
SMILESc1ccccc1C(=O)O[C@H]1C[C@H]([C@]2([C@H](C1(C)C)C[C@@H]([C@]1([C@@H]2CC[C@@]2([C@H](CC=C12)[C@H]1[C@@H](O[C@H](C1)[C@H](C(C)(C)O)O)O)C)C)OC(=O)C)C)OC(=O)C
SMART[#6]C(=O)O[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)[C@@]([#6])([#6])[C@@H]2C[C@H](OC([#6])=O)[C@@]3([#6])C(CC[C@]4([#6])[C@H](CC=C34)[C@@H]3C[C@@H](O[C@H]3O)[C@@H](O)[C@]([#6])([#6])O)[C@@]12[#6]
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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