Compound | Ricin |
NPACT-Id | NPACT00920 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11970183 |
Class | Aminoacids and peptides |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | PDIUEUBWQHNTIE-WGMRWGPCSA-N |
InChi | 1S/C22H34O8/c1-9(23)29-17-15(25)21-8-19(4,26)10(14(21)24)6-7-11(21)20(5,27)13-12-16(30-12)18(2,3)22(13,17)28/h10-17,24-28H,6-8H2,1-5H3/t10?,11-,12-,13-,14+,15+,16-,17+,19+,20+,21+,22-/m0/s1 |
SMILES | O1[C@H]2[C@@H]3[C@@](O)(C([C@@H]12)(C)C)[C@H](OC(=O)C)[C@@H](O)[C@]12[C@H]([C@]3(O)C)CC[C@H]([C@H]1O)[C@](O)(C2)C |
SMART | [H]O[C@]1([H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]1(C([H])([H])[C@]2(O[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]1(O[H])[C@@]([H])([C@]2([H])O[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])[H])[C@@]3(O[H])C([H])([H])[H] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | C0393 |
NCI-60 GI50 data | - |
Suppliers | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |