NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundDawoensin A
NPACT-IdNPACT01183
IUPAC-
Synonyms-
PubChem Id10412708
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQEMZXZKSAIPCKG-INVVOPRQSA-N
InChi1S/C26H36O8/c1-12-16-10-17(30)20-25(7)9-8-18(32-13(2)27)24(5,6)21(25)19(33-14(3)28)23(34-15(4)29)26(20,11-16)22(12)31/h16-21,23,30H,1,8-11H2,2-7H3/t16-,17+,18+,19-,20+,21-,23+,25+,26+/m1/s1
SMILESO([C@@H]1[C@]23[C@H]([C@]4([C@H]([C@H]1OC(=O)C)C([C@@H](OC(=O)C)CC4)(C)C)C)[C@@H](O)C[C@H](C2)C(=C)C3=O)C(=O)C
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])C(=C(/[H])[H])C(=O)[C@@]3(C2([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2([H])[C@@](C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]13[H]
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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