General Characteristics
| NatID | 626 |
| Common Name | oliverine |
| Molecular Formula | C20H21NO4 |
| Chemical Class | Aporphines |
| Molecular Weight | 339.147 g/mol |
| Other names |
Representations
| Smiles | COc1ccc2c(c1)[C@H](OC)[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C |
| Inchi | InChI=1S/C20H21NO4/c1-21-7-6-11-8-15-20(25-10-24-15)17-13-5-4-12(22-2)9-14(13)19(23-3)18(21)16(11)17/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m0/s1 |
| Inchi Key | RRTPHPJGTHCVFW-OALUTQOASA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.32 |
| TPSA | 40.16 |
| HBD | 0 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 2 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9720 | Annona emarginata | No | Very High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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