NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundDeoxyandrographolide
NPACT-IdNPACT01188
IUPAC-
Synonyms-
PubChem Id21679042
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDAXSYTVXDSOSIE-HNJRGHQBSA-N
InChi1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,16-17,21-22H,4-8,10-12H2,1-3H3/t16-,17+,19-,20-/m0/s1
SMILESO[C@H]1[C@]([C@@H]2[C@@](CC1)(C(=C(CC2)C)CCC1=CCOC1=O)C)(CO)C
SMART[H]OC([H])([H])[C@]1(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]2(C(=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]12[H])C([H])([H])C([H])([H])C1=C([H])C([H])([H])OC1=O)C([H])([H])[H]
CAS No.79233-15-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C114791
HIT   -
NCI-60 GI50 data   -
Suppliers ChemMol, Hangzhou APIChem Technology, ZINC, 
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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