Bioactive Compound Details
| BioID | bio199126 |
|---|---|
| Name | 2-NICOTYLHIPPEASTRINE |
| ChEMBL ID | CHEMBL2377297 |
| Molecular Formula | C22H20N2O6 |
| Molecular Weight | 408.41 |
| Molecular Weight (Monoisotopic) | 408.1321 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | CN1CCC2=C[C@H](OC(=O)n3cccc3)[C@H]3OC(=O)c4cc5c(cc4[C@H]3[C@@H]21)OCO5 |
| Inchi | InChI=1S/C22H20N2O6/c1-23-7-4-12-8-17(29-22(26)24-5-2-3-6-24)20-18(19(12)23)13-9-15-16(28-11-27-15)10-14(13)21(25)30-20/h2-3,5-6,8-10,17-20H,4,7,11H2,1H3/t17-,18-,19+,20+/m0/s1 |
| Inchi Key | BKVBLNDMEYKMNE-VNTMZGSJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.56 |
| Records Key | ['5'] |
| Records Name | ['2-Nicotylhippeastrine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
