| Compound | Meliatoxin B1 |
| NPACT-Id | NPACT00765 |
| IUPAC | - |
| Synonyms | 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-4,8-dimethyl-11,15-dioxo-21,23-epoxy-1,7,19-trihydroxy-, cyclic 4,19-(2-methyl-1-oxobutylacetal), (1-alpha,2-alpha,3-alpha,4-beta(alpha-S),5-alpha,7-alpha,13-alpha,17-alpha)- |
| PubChem Id | 174647 |
| Class | Terpenoids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | PGTAYRVRANEPEM-UHFFFAOYSA-N |
| InChi | 1S/C35H46O12/c1-8-16(2)30(42)47-31-34(7)23-12-24(40)33(6)22-11-20(38)25(19-9-10-43-14-19)32(22,5)13-21(39)27(33)35(23,15-44-31)28(41)26(45-17(3)36)29(34)46-18(4)37/h9-10,14,16,22-29,31,40-41H,8,11-13,15H2,1-7H3 |
| SMILES | O1CC23C4C(C5C(CC4=O)(C(C(=O)C5)c4ccoc4)C)(C(O)CC2C(C(OC(=O)C)C(OC(=O)C)C3O)(C1OC(=O)C(CC)C)C)C |
|
SMART | [H]O[C@@]1([H])C([H])([H])[C@@]2([H])[C@@]3(C([H])([H])[H])[C@]([H])(OC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])OC([H])([H])[C@@]2([C@@]([H])(O[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]3([H])OC(=O)C([H])([H])[H])[C@@]2([H])C(=O)C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C4=C([H])OC([H])=C4[H])C(=O)C([H])([H])[C@@]3([H])[C@]12C([H])([H])[H] |
| CAS No. | 87617-81-0 |
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Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| 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 |