NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3,6-Epidioxy-1,10-bisaboladiene
NPACT-IdNPACT00110
IUPAC1-methyl-4-(6-methylhept-5-en-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Synonyms-
PubChem Id10014355
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCASP3 | CASP7 | CASP8 | CASP9 | MAPK1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLQQPBZXRTDBTDG-UHFFFAOYSA-N
InChi1S/C15H24O2/c1-12(2)6-5-7-13(3)15-10-8-14(4,9-11-15)16-17-15/h6,8,10,13H,5,7,9,11H2,1-4H3
SMILESO1O[C@@]2(CC[C@@]1([C@H](CCC=C(C)C)C)C=C2)C
SMART[#6][C@@H](CCC=C([#6])[#6])[C@@]12CC[C@@]([#6])(OO1)C=C2
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.