NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2-epi-hydroxy isojatrogrossidion
NPACT-IdNPACT00099
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKMFVVUWIGLRRLZ-NTLQYXAJSA-N
InChi1S/C30H44O6/c1-25(2,35)14-13-22(33)30(8,36)24-19(31)15-27(5)20-11-9-17-18(10-12-21(32)26(17,3)4)29(20,7)23(34)16-28(24,27)6/h9,13-14,18-20,24,31,35-36H,10-12,15-16H2,1-8H3/b14-13+/t18-,19-,20+,24+,27+,28-,29+,30+/m1/s1
SMILESC1[C@](C(=O)C2=C1C(=O)[C@@H](C[C@@H]1[C@H](CC[C@]3([C@H]2O3)C)C1(C)C)C)(C)O
SMART[H][C@]12CC[C@]3([#6])O[C@H]3C3=C(C[C@]([#6])(O)C3=O)C(=O)[C@H]([#6])C[C@@]1([H])[C@]2([#6])[#6]
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   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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