NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundlongilactone
NPACT-IdNPACT01253
IUPAC-
Synonyms-
PubChem Id46878941
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 | CASP7 | CASP8 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKBBRVTNGCNCUCX-GZKGTQTLSA-N
InChi1S/C19H26O7/c1-6-5-8(20)15(24)18(3)9(6)12(22)16-19(4)10(17(25)26-16)7(2)11(21)13(23)14(18)19/h5,7,9-16,21-24H,1-4H3/t7-,9-,10?,11+,12-,13+,14-,15-,16-,18+,19+/m1/s1
SMILESO1[C@H]2[C@@]3([C@@H]([C@@]4([C@@H]([C@H]2O)C(=CC(=O)[C@H]4O)C)C)[C@@H](O)[C@@H](O)[C@@H](C3C1=O)C)C
SMART[H]O[C@]1([H])C(=O)C([H])=C(C([H])([H])[H])[C@]2([H])[C@@]([H])(O[H])[C@@]3([H])OC(=O)[C@@]4([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])([C@@]34C([H])([H])[H])[C@@]12C([H])([H])[H]
CAS No.-
Structure
Download

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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.