TPCN00404
![[object Object]](../../static/browser_molecular_png/TPCN00404.png)
| Name | Vinorine N1,N4-dioxide |
| Molecular Formula | C21H22N2O4 |
| Molecular Weight | 366.42 |
| CAS Registry Number | 1456618-69-1 |
| SMILES | CC=C1C[N+]2([O-])C3CC1C1C(OC(C)=O)C4(CC12)C3=[N+]([O-])c1ccccc14 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia yunnanensis | Whole plants | 0.000347% | Molecules, 2012, 17, 13631-13645. | 10.3390/molecules171113631 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 27 | AlogP | 2.52 |
| TPSA | 75.43 | RotatableBonds | 1 |
| FractionCSP3 | 0.52 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |