TPCN00446
![[object Object]](../../static/browser_molecular_png/TPCN00446.png)
| Name | 5??-carboxytetrahydroalstonine |
| Molecular Formula | C22H24N2O5 |
| Molecular Weight | 396.44 |
| CAS Registry Number | 53938-11-7 |
| SMILES | COC(=O)C1=COC(C)C2CN3C(C(=O)O)Cc4c([nH]c5ccccc45)C3CC12 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Icacinaceae | Mappianthus iodoides | Stems | 0.000276% | Phytochemistry, 2018, 145, 68-76. | 10.1016/j.phytochem.2017.10.009 |
Properties
| HBA | 7 | HBD | 2 |
| HeavyAtoms | 29 | AlogP | 2.63 |
| TPSA | 91.86 | RotatableBonds | 2 |
| FractionCSP3 | 0.45 | Rings | 5 |
| AromaticRings | 2 | AliphaticRings | 3 |