NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundhinokinin
NPACT-IdNPACT01226
IUPAC-
Synonyms(-)-Hinokinin;(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one;(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one;(3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one;
PubChem Id442879
ClassLignans
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyDDWGQGZPYDSYEL-LSDHHAIUSA-N
InChi1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
SMILESO1C[C@@H]([C@@H](Cc2cc3OCOc3cc2)C1=O)Cc1cc2OCOc2cc1
SMART[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[C@]1([H])C([H])([H])C1=C([H])C2=C(OC([H])([H])O2)C([H])=C1[H]
CAS No.26543-89-5
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C475934
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Therapeutic Targets Database, ZINC, 
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.