TPCN00049
![[object Object]](../../static/browser_molecular_png/TPCN00049.png)
| Name | Picralinal |
| Molecular Formula | C21H22N2O4 |
| Molecular Weight | 366.42 |
| CAS Registry Number | 20045-06-1 |
| SMILES | CC=C1CN2C3CC45c6ccccc6NC4(O3)C2CC1C5(C=O)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Alstonia scholaris | Leaves | 0.021333% | Fitoterapia, 2018, 124, 73-79. | 10.1016/j.fitote.2017.10.018 |
| Apocynaceae | Alstonia scholaris | Barks | 0.012000% | Planta Med, 2009, 75, 1537-1541. | 10.1055/s-0029-1185900 |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 27 | AlogP | 1.81 |
| TPSA | 67.87 | RotatableBonds | 2 |
| FractionCSP3 | 0.52 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |