TPCN00616
![[object Object]](../../static/browser_molecular_png/TPCN00616.png)
| Name | Calophyline A |
| Molecular Formula | C21H22N2O4 |
| Molecular Weight | 366.42 |
| CAS Registry Number | 1381758-79-7 |
| SMILES | CC=C1C[N+]2(C)CCC34c5ccccc5NC35OCC4(C(=O)[O-])C1C2C5=O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia rostrata | Barks | 0.000094% | Org Lett, 2012, 14, 3450-3453. | 10.1021/ol301400e |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 27 | AlogP | 0.19 |
| TPSA | 78.46 | RotatableBonds | 1 |
| FractionCSP3 | 0.52 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |