TPCN00443
![[object Object]](../../static/browser_molecular_png/TPCN00443.png)
| Name | Vallesiachotamine |
| Molecular Formula | C21H22N2O3 |
| Molecular Weight | 350.42 |
| CAS Registry Number | 5523-37-5 |
| SMILES | CC=C(C=O)C1CC2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia scholaris | Leaves | 0.000280% | Fitoterapia, 2015, 105, 160-164. | 10.1016/j.fitote.2015.06.019 |
| Apocynaceae | Melodinus henryi | Seeds | 0.000258% | J Nat Prod, 2010, 73, 22-26. | 10.1021/np900595v |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 3.29 |
| TPSA | 62.40 | RotatableBonds | 3 |
| FractionCSP3 | 0.33 | Rings | 4 |
| AromaticRings | 2 | AliphaticRings | 2 |