NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundNectandrin A
NPACT-IdNPACT00802
IUPAC4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Synonyms-
PubChem Id13939326
ClassLignans
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsPLCG1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyYPQNDHHCUQGPFN-WVGOSAFVSA-N
InChi1S/C21H26O5/c1-12-13(2)21(15-7-9-17(23-3)19(11-15)25-5)26-20(12)14-6-8-16(22)18(10-14)24-4/h6-13,20-22H,1-5H3/t12-,13+,20-,21+/m0/s1
SMILESO1[C@H]([C@@H]([C@@H]([C@H]1c1cc(OC)c(O)cc1)C)C)c1cc(OC)c(OC)cc1
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])[C@@]1([H])O[C@@]([H])(C2=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])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 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

 






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