TPCN00451
![[object Object]](../../static/browser_molecular_png/TPCN00451.png)
| Name | Humantenine N4 -oxide |
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.45 |
| CAS Registry Number | 1095318-12-9 |
| SMILES | CC=C1C[N+](C)([O-])C2CC3(C(=O)N(OC)c4ccccc43)C3CC1C2CO3 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Loganiaceae | Gelsemium elegans | Aerial parts | 0.000267% | Chem Asian J, 2008, 3, 1824-1829. | 10.1002/asia.200800021 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 27 | AlogP | 2.53 |
| TPSA | 61.83 | RotatableBonds | 1 |
| FractionCSP3 | 0.57 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |