NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCumingianol B
NPACT-IdNPACT00458
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 KeyZLDBOUPPRLHFEO-MTURWWTCSA-N
InChi1S/C32H54O6/c1-18(15-21(34)26(36)28(5,6)37)20-9-14-32-17-31(20,32)13-10-22-29(7)12-11-25(38-19(2)33)27(3,4)23(29)16-24(35)30(22,32)8/h18,20-26,34-37H,9-17H2,1-8H3/t18-,20-,21-,22-,23+,24-,25+,26-,29-,30-,31-,32-/m1/s1
SMILESC1C[C@@H](C([C@H]2[C@]1([C@@H]1[C@]([C@@H](C2)O)([C@@]23[C@@](CC1)([C@H](CC2)[C@@H](C[C@@H](O)[C@H](C(C)(C)O)O)C)C3)C)C)(C)C)OC(=O)C
SMART[#6][C@H](C[C@@H](O)[C@@H](O)[C@]([#6])([#6])O)[C@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2([#6])CC[C@H](OC([#6])=O)[C@]([#6])([#6])[C@@H]2C[C@@H](O)[C@]31[#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

 






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