TPCN00668
![[object Object]](../../static/browser_molecular_png/TPCN00668.png)
| Name | Pandoline |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.45 |
| CAS Registry Number | 53507-78-1 |
| SMILES | CCC1(O)CC2CC(C(=O)OC)=C3Nc4ccccc4C34CCN(C1)C24 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana bovina | Leaves | 0.000062% | Org Lett, 2019, 21, 5938-5942. | 10.1021/acs.orglett.9b02060 |
Properties
| HBA | 5 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 2.42 |
| TPSA | 61.80 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 5 |
| AromaticRings | 1 | AliphaticRings | 4 |