NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2,4-Chebulyl-beta-D-glucopyranose
NPACT-IdNPACT00063
IUPAC-
Synonyms-
PubChem Id-
ClassTannin
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAZTPRINHIPZIJE-XHIFJZPGSA-N
InChi1S/C21H20O16/c22-3-7-15-14(29)17(21(33)34-7)37-19(31)11(26)4-1-6(23)12(27)16-10(4)9(13(28)20(32)36-16)5(2-8(24)25)18(30)35-15/h1,5,7,9,13-15,17,21-23,27-29,33H,2-3H2,(H,24,25)/t5-,7-,9+,13-,14-,15+,17+,21+/m0/s1
SMILES[C@H]12[C@@H](C(=O)Oc3c1c(cc(c3O)O)C(=O)C(=O)O[C@@H]1[C@H]([C@H](OC(=O)[C@H]2CC(=O)O)[C@@H](O[C@H]1O)CO)O)O
SMARTOC[C@@H]1O[C@@H](O)[C@@H]2OC(=O)C(=O)C3=CC(O)=C(O)C4=C3[C@H]([C@H](O)C(=O)O4)[C@H](CC(O)=O)C(=O)O[C@H]1[C@@H]2O
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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