TPCN00081
![[object Object]](../../static/browser_molecular_png/TPCN00081.png)
| Name | 3-isopaynantheine |
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.49 |
| CAS Registry Number | 22032-51-5 |
| SMILES | C=CC1CN2CCc3c([nH]c4cccc(OC)c34)C2CC1C(=COC)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mitragyna diversifolia | Barks | 0.009000% | Phytochemistry, 2013, 96, 389-401. | 10.1016/j.phytochem.2013.10.002 |
Properties
| HBA | 6 | HBD | 1 |
| HeavyAtoms | 29 | AlogP | 3.60 |
| TPSA | 63.79 | RotatableBonds | 5 |
| FractionCSP3 | 0.43 | Rings | 4 |
| AromaticRings | 2 | AliphaticRings | 2 |