TPCN00169
![[object Object]](../../static/browser_molecular_png/TPCN00169.png)
| Name | 3-isopaynantheine-N(4)-oxide |
| Molecular Formula | C23H28N2O5 |
| Molecular Weight | 412.49 |
| CAS Registry Number | 1500152-95-3 |
| SMILES | C=CC1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)C2CC1C(=COC)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mitragyna diversifolia | Barks | 0.001780% | Phytochemistry, 2013, 96, 389-400. | 10.1016/j.phytochem.2013.10.002 |
Properties
| HBA | 7 | HBD | 1 |
| HeavyAtoms | 30 | AlogP | 3.61 |
| TPSA | 83.61 | RotatableBonds | 5 |
| FractionCSP3 | 0.43 | Rings | 4 |
| AromaticRings | 2 | AliphaticRings | 2 |