NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound2-Hydroxyisojatrogrossidion
NPACT-IdNPACT00100
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOYIJAFDBTSSJDP-BRWQSCEMSA-N
InChi1S/C20H28O4/c1-10-8-13-12(18(13,2)3)6-7-20(5)17(24-20)14-11(15(10)21)9-19(4,23)16(14)22/h10,12-13,17,23H,6-9H2,1-5H3/t10-,12+,13-,17+,19+,20+/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.118-71-8
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   118-71-8
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.