NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound4Z-jatrogrossidentadion
NPACT-IdNPACT00164
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 KeyFBVWSXCVYVNYII-YCAXMLINSA-N
InChi1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h9-11,13-14,23-24H,6-8H2,1-5H3/b15-10+/t11-,13+,14-,19+,20-/m1/s1
SMILESC1(=O)[C@]2(C=C(C(=O)C2=C[C@](CC[C@H]2[C@@H](C[C@H]1C)C2(C)C)(O)C)C)O
SMART[#6][C@@H]1C[C@]2([H])[C@]([H])(CC[C@@](O)([#6])C=C3/C(=O)C([#6])=C[C@]3(O)C1=O)[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.