TPCN00478
![[object Object]](../../static/browser_molecular_png/TPCN00478.png)
| Name | Rotundifoleine |
| Molecular Formula | C22H26N2O5 |
| Molecular Weight | 398.46 |
| CAS Registry Number | 55872-09-8 |
| SMILES | C=CC1CN2CCC3(C(=O)Nc4cccc(O)c43)C2CC1C(=COC)C(=O)OC |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Mitragyna diversifolia | Barks | 0.000230% | Phytochemistry, 2013, 96, 389-409. | 10.1016/j.phytochem.2013.10.002 |
Properties
| HBA | 7 | HBD | 2 |
| HeavyAtoms | 29 | AlogP | 2.18 |
| TPSA | 88.10 | RotatableBonds | 4 |
| FractionCSP3 | 0.45 | Rings | 4 |
| AromaticRings | 1 | AliphaticRings | 3 |