NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundTomatidenol
NPACT-IdNPACT00979
IUPAC-
Synonyms-
PubChem Id6453043
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKWVISVAMQJWJSZ-WTRFRPNVSA-N
InChi1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23-,24-,25-,26-,27?/m0/s1
SMILESO1[C@@H]2[C@@H]([C@@]3([C@H]([C@H]4[C@H](CC3)[C@@]3(C(=CC4)C[C@@H](O)CC3)C)C2)C)[C@H]([C@@]21NC[C@H](CC2)C)C
SMART[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])[C@]5([H])O[C@@]6(N([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C6([H])[H])[C@]([H])(C([H])([H])[H])[C@]5([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.546-40-7
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C012037
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.