NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTannic acid
NPACT-IdNPACT00968
IUPAC-
SynonymsTanninum;Chinese gallotannin;Gallotannin; Tannin
PubChem Id16129778
ClassTannin
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsBAX | ODC1 | PSMD9 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLRBQNJMCXXYXIU-PPKXGCFTSA-N
InChi1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-2
SMILESO1[C@@H]([C@@H](OC(=O)c2cc(OC(=O)c3cc(O)c(O)c(O)c3)c(O)c(O)c2)[C@H](OC(=O)c2cc(OC(=O)c3cc(O)c(O)c(O)c3)c(O)c(O)c2)[C@@H](OC(=O)c2cc(OC(=O)c3cc(O)c(O)c(O)c3)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c(O)c1)COC(=O)c1cc(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c(O)c1
SMART[H]OC1=C([H])C(=C([H])C(O[H])=C1O[H])C(=O)OC1=C([H])C(=C([H])C(O[H])=C1O[H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(OC(=O)C2=C([H])C(O[H])=C(O[H])C(OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])=C2[H])[C@]([H])(OC(=O)C2=C([H])C(O[H])=C(O[H])C(OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])=C2[H])[C@@]([H])(OC(=O)C2=C([H])C(O[H])=C(O[H])C(OC(=O)C3=C([H])C(O[H])=C(O[H])C(O[H])=C3[H])=C2[H])[C@]1([H])OC(=O)C1=C([H])C(O[H])=C(O[H])C(OC(=O)C2=C([H])C(O[H])=C(O[H])C(O[H])=C2[H])=C1[H]
CAS No.1401-55-4;5424-20-4
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   C0255
NCI-60 GI50 data   -
Suppliers ABBLIS Chemicals, Ambinter, ChemExper Chemical Directory, ChemMol, Sigma-Aldrich, 
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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