TPCN00054
![[object Object]](../../static/browser_molecular_png/TPCN00054.png)
| Name | Tabernaemontanine |
| Molecular Formula | C21H26N2O3 |
| Molecular Weight | 354.45 |
| CAS Registry Number | 2134-98-7 |
| SMILES | CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Tabernaemontana elegans | Roots | 0.018371% | J Ethnopharmacol, 2013, 149, 463-470. | 10.1016/j.jep.2013.06.051 |
| Apocynaceae | Tabernaemontana divaricata | Aerial parts | 0.012500% | Nat Prod Res, 2019, 33, 2139-2144. | 10.1080/14786419.2018.1488707 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 3.04 |
| TPSA | 62.40 | RotatableBonds | 2 |
| FractionCSP3 | 0.52 | Rings | 4 |
| AromaticRings | 2 | AliphaticRings | 2 |