| Compound | Rhyncophylline |
| NPACT-Id | NPACT00919 |
| IUPAC | methyl(E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate |
| Synonyms | Rhynchophylline;methyl(E)-2-[(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate |
| PubChem Id | 5281408 |
| Class | Alkaloids |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | NOS2 | TNF | All | |
| Properties | Physical Elemental Topological |
| InChi Key | DAXYUDFNWXHGBE-KAXDATADSA-N |
| InChi | 1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1 |
| SMILES | O=C1Nc2c([C@@]31[C@H]1N(CC3)C[C@@H]([C@H](C1)/C(=COC)/C(=O)OC)CC)cccc2 |
|
SMART | [H]N1C(=O)[C@@]2(C3=C([H])C([H])=C([H])C([H])=C13)C([H])([H])C([H])([H])[N@@]1C([H])([H])[C@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(C(=C([H])OC([H])([H])[H])C(=O)OC([H])([H])[H])C([H])([H])[C@@]21[H] |
| CAS No. | 76-66-4 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C052714 |
| HIT | C0077 |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, Ambinter, Hangzhou Trylead Chemical Technology, IS Chemical Technology, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |