TPCN00650
![[object Object]](../../static/browser_molecular_png/TPCN00650.png)
| Name | 3-dehydropaynantheine |
| Molecular Formula | C23H27N2O4+ |
| Molecular Weight | 395.48 |
| CAS Registry Number | 1499174-72-9 |
| SMILES | C=CC1CN2CCC3=c4c(OC)cccc4=NC3=C2CC1C(=COC)C(=O)OC.[H+] |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mitragyna diversifolia | Barks | 0.000070% | Phytochemistry, 2013, 96, 389-399. | 10.1016/j.phytochem.2013.10.002 |
Properties
| HBA | 6 | HBD | 0 |
| HeavyAtoms | 29 | AlogP | 2.03 |
| TPSA | 60.36 | RotatableBonds | 5 |
| FractionCSP3 | 0.39 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |