TPCN00134
![[object Object]](../../static/browser_molecular_png/TPCN00134.png)
| Name | Scandine |
| Molecular Formula | C21H22N2O3 |
| Molecular Weight | 350.42 |
| CAS Registry Number | 24314-59-8 |
| SMILES | C=CC12C=CCN3CCC4(c5ccccc5NC(=O)C4(C(=O)OC)C1)C32 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Melodinus axillaris | Roots | 0.003210% | Fitoterapia, 2016, 115, 173-176. | 10.1016/j.fitote.2016.10.012 |
| Apocynaceae | Melodinus henryi | Barks | 0.000005% | Fitoterapia, 2019, 138, 104354. | 10.1016/j.fitote.2019.104354 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 2.26 |
| TPSA | 58.64 | RotatableBonds | 2 |
| FractionCSP3 | 0.43 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |