NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCaracasine
NPACT-IdNPACT00390
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 9 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUSEXTQQYAGYNSQ-JDYRRTIPSA-N
InChi1S/C21H30O3/c1-13(2)16-8-11-21-12-15(14(3)19(21)23)6-7-17(21)20(16,4)10-9-18(22)24-5/h15-17H,1,3,6-12H2,2,4-5H3/t15-,16+,17-,20-,21-/m1/s1
SMILESC(CC(=O)OC)[C@@]1([C@H](C(=C)C)CC[C@]23[C@@H]1CC[C@H](C2)C(=C)C3=O)C
SMART[#6]OC(=O)CC[C@]1([#6])[C@@H](CC[C@@]23C[C@@H](CC[C@H]12)C(=C)C3=O)C([#6])=C
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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