TPCN00612
![[object Object]](../../static/browser_molecular_png/TPCN00612.png)
| Name | Isovoacangine |
| Molecular Formula | C22H28N2O3 |
| Molecular Weight | 368.48 |
| CAS Registry Number | 596-54-3 |
| SMILES | CCC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C(C(=O)OC)(C2)C13 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana divaricata | Aerial parts | 0.000100% | Nat Prod Res, 2019, 33, 2139-2144. | 10.1080/14786419.2018.1488707 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 27 | AlogP | 3.26 |
| TPSA | 54.56 | RotatableBonds | 3 |
| FractionCSP3 | 0.59 | Rings | 6 |
| AromaticRings | 2 | AliphaticRings | 4 |