NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGalbacin
NPACT-IdNPACT00589
IUPAC5-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Synonyms5,5'-(3,4-dimethyltetrahydrofuran-2,5-diyl)bis(1,3-benzodioxole);5-[5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole;Furan, tetrahydro-3,4-dimethyl-2,5-bis[3,4-(methylenedioxy)phenyl]-, (all-S)-
PubChem Id234441
ClassLignans
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyQFUXQRHAJWXPGP-UHFFFAOYSA-N
InChi1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3
SMILESO1[C@@H]([C@H]([C@@H]([C@@H]1c1cc2OCOc2cc1)C)C)c1cc2OCOc2cc1
SMART[H]C1=C([H])C(=C([H])C2=C1OC([H])([H])O2)[C@]1([H])O[C@]([H])(C2=C([H])C3=C(OC([H])([H])O3)C([H])=C2[H])[C@@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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