NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(2S,4R)-2-carboxy-4-(E)-p-coumaroyloxy-1,1-dimethylpyrrolidinium inner salt
NPACT-IdNPACT01455
IUPAC-
Synonyms-
PubChem Id-
ClassUnknown
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHNKOTLDGTXZWQX-KGLIPLIRSA-O
InChi1S/C16H19NO5/c1-17(2)10-13(9-14(17)16(20)21)22-15(19)8-5-11-3-6-12(18)7-4-11/h3-8,13-14H,9-10H2,1-2H3,(H-,18,19,20,21)/p+1/t13-,14+/m1/s1
SMILESc1cc(ccc1O)/C=C/C(=O)O[C@@H]1C[C@H]([N+](C1)(C)C)C(=O)O
SMARTOC(=O)[C@@H]1C[C@@H](OC(=O)C=CC2=CC=C(O)C=C2)C[N@+]1([#6])[#6]
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   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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