NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCumingianol F
NPACT-IdNPACT00460
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 KeyCMWCFSOXLZUNRG-KAGBANFSSA-N
InChi1S/C32H54O6/c1-18(16-22(34)27(36)29(5,6)37)20-10-15-32(9)26-21(11-14-31(20,32)8)30(7)13-12-25(35)28(3,4)24(30)17-23(26)38-19(2)33/h11,18,20,22-27,34-37H,10,12-17H2,1-9H3/t18-,20+,22-,23+,24+,25+,26+,27-,30-,31+,32+/m1/s1
SMILESC1C[C@@H](C([C@H]2[C@]1(C1=CC[C@]3([C@@H](CC[C@]3([C@@H]1[C@H](C2)OC(=O)C)C)[C@@H](C[C@@H](O)[C@H](C(C)(C)O)O)C)C)C)(C)C)O
SMART[#6][C@H](C[C@@H](O)[C@@H](O)[C@]([#6])([#6])O)[C@@H]1CC[C@@]2([#6])[C@@H]3[C@H](C[C@H]4[C@]([#6])([#6])[C@@H](O)CC[C@]4([#6])C3=CC[C@@]12[#6])OC([#6])=O
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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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