NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMachilin G
NPACT-IdNPACT00736
IUPAC5-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
Synonyms-
PubChem Id10450921
ClassLignans
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyHSMDOSKNXLVXIP-QVEMZERUSA-N
InChi1S/C21H24O5/c1-12-13(2)21(15-6-8-17-19(10-15)25-11-24-17)26-20(12)14-5-7-16(22-3)18(9-14)23-4/h5-10,12-13,20-21H,11H2,1-4H3/t12-,13+,20-,21+/m1/s1
SMILESO1[C@@H]([C@H]([C@H]([C@@H]1c1cc(OC)c(OC)cc1)C)C)c1cc2OCOc2cc1
SMART[#6]OC1=C(O[#6])C=C(C=C1)[C@@H]1O[C@@H]([C@@H]([#6])[C@H]1[#6])C1=CC2=C(OCO2)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers 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

 






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