TPCN00502
![[object Object]](../../static/browser_molecular_png/TPCN00502.png)
| Name | 12-hydroxyakuammicineN(4)-oxide |
| Molecular Formula | C20H22N2O4 |
| Molecular Weight | 354.41 |
| CAS Registry Number | 2276636-14-5 |
| SMILES | CC=C1C[N+]2([O-])CCC34C(=C(C(=O)OC)C1CC32)Nc1c(O)cccc14 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana pandacaqui | Aerial parts | 0.000192% | Chem Biodivers, 2018, 15, e1800268. | 10.1002/cbdv.201800268 |
Properties
| HBA | 6 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 2.55 |
| TPSA | 81.62 | RotatableBonds | 1 |
| FractionCSP3 | 0.45 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |