| Compound | Dehydrotomatine |
| NPACT-Id | NPACT00488 |
| IUPAC | - |
| Synonyms | - |
| PubChem Id | - |
| Class | Alkaloids |
| In-vitro anticancer activity | 4 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | BYMOGFTUZUEFHY-SKCHXZCUSA-N |
| InChi | 1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5, |
| SMILES | C1C[C@@H](CC2=CC[C@H]3[C@H]([C@@]12C)CC[C@@]1([C@@H]2[C@H](C[C@H]31)O[C@]1([C@H]2C)CC[C@@H](CN1)C)C)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC[C@H](O)[C@H]([C@@H]1O)O)O |
|
SMART | [H][C@]12C[C@]3([H])[C@@]4([H])CC=C5C[C@H](CC[C@]5([#6])[C@]4([H])CC[C@]3([#6])[C@@]1([H])[C@H]([#6])[C@]1(CC[C@]([H])([#6])CN1)O2)O[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
| CAS No. | - |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C484752 |
| 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 Search | Human metabolite database | FDA approved drugs |