NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCumingianol D
NPACT-IdNPACT00459
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXCGRPAUFRDPBIU-DOPVLOGCSA-N
InChi1S/C32H54O6/c1-18(16-21(34)27(36)29(5,6)37)20-10-11-22-30(20,7)14-12-23-31(8)15-13-25(35)28(3,4)24(31)17-26(32(22,23)9)38-19(2)33/h11,18,20-21,23-27,34-37H,10,12-17H2,1-9H3/t18-,20+,21-,23-,24+,25+,26+,27-,30-,31-,32-/m1/s1
SMILESC1C[C@@H](C([C@H]2[C@]1([C@@H]1[C@]([C@H](C2)OC(=O)C)(C2=CC[C@H]([C@]2(CC1)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=C2[C@]1([#6])CC[C@@H]1[C@@]3([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]3C[C@H](OC([#6])=O)[C@]21[#6]
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.