TPCN00521
![[object Object]](../../static/browser_molecular_png/TPCN00521.png)
| Name | Pandine |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.43 |
| CAS Registry Number | 55855-14-6 |
| SMILES | CCC1(O)CC2C3C(C(=O)OC)=C4Nc5ccccc5C45CCN(C31)C25 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Ervatamia hainanensis | Aerial parts | 0.000173% | J Nat Prod, 2015, 78, 1253-1261. | 10.1021/acs.jnatprod.5b00051 |
Properties
| HBA | 5 | HBD | 2 |
| HeavyAtoms | 26 | AlogP | 2.02 |
| TPSA | 61.80 | RotatableBonds | 2 |
| FractionCSP3 | 0.57 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |