| Compound | Tannic acid |
| NPACT-Id | NPACT00968 |
| IUPAC | - |
| Synonyms | Tanninum;Chinese gallotannin;Gallotannin; Tannin |
| PubChem Id | 16129778 |
| Class | Tannin |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | Yes |
| Targets | BAX | ODC1 | PSMD9 | All | |
| Properties | Physical Elemental Topological |
| InChi Key | LRBQNJMCXXYXIU-PPKXGCFTSA-N |
| InChi | 1S/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 |
| SMILES | O1[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
Download | 
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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 Search | Human metabolite database | FDA approved drugs |