NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundcanin
NPACT-IdNPACT01159
IUPAC-
SynonymsCanin
PubChem Id442175
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKXLUWEYBZBGJRZ-POEOZHCLSA-N
InChi1S/C15H18O5/c1-6-7-4-5-13(2,17)15-9(8(7)18-12(6)16)14(3)10(19-14)11(15)20-15/h7-11,17H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14-,15+/m0/s1
SMILESO1[C@@]23[C@@H]1[C@H]1O[C@]1([C@@H]2[C@H]1OC(=O)C(=C)[C@@H]1CC[C@]3(O)C)C
SMART[H]O[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])C(=C([H])[H])C(=O)O[C@]2([H])[C@@]2([H])[C@@]3(O[C@]3([H])[C@]3([H])O[C@]123)C([H])([H])[H]
CAS No.24959-84-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C042832
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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