TPCN00189
![[object Object]](../../static/browser_molecular_png/TPCN00189.png)
| Name | Methyl 11, 12-methylenedioxychanof ruticosinate;Demethoxycarbonylchanofruticosinate |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.43 |
| CAS Registry Number | 80151-89-9 |
| SMILES | COC(=O)C12CCC34CCCN5CC(C(=O)C3)C1(c1ccccc1N2)C54 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Kopsia officinalis | Aerial parts | 0.001506% | J Nat Prod, 2017, 80, 864-871. | 10.1021/acs.jnatprod.6b00697 |
| Apocynaceae | Kopsia officinalis | Stems | 0.000370% | Fitoterapia, 2020, 143, 104547. | 10.1016/j.fitote.2020.104547 |
Properties
| HBA | 5 | HBD | 1 |
| HeavyAtoms | 26 | AlogP | 2.11 |
| TPSA | 58.64 | RotatableBonds | 1 |
| FractionCSP3 | 0.62 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |