NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAdenanthin C
NPACT-IdNPACT01116
IUPAC-
Synonyms-
PubChem Id10928875
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQKHLDQYQFFOBAK-VCGKDBAHSA-N
InChi1S/C26H36O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-22,30H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,25+,26+/m1/s1
SMILESO([C@@H]1[C@]23[C@H]([C@]4([C@@H](C([C@@H](O)C[C@@H]4OC(=O)C)(C)C)C1)C)[C@@H](OC(=O)C)C[C@H](C2)C(=C)C3=O)C(=O)C
SMART[H]O[C@@]1([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@]2(C([H])([H])[H])[C@]([H])(C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]34C(=O)C(=C([H])[H])[C@@]([H])(C3([H])[H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]24[H])[C@@]1(C([H])([H])[H])C([H])([H])[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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