TPCN00426
![[object Object]](../../static/browser_molecular_png/TPCN00426.png)
| Name | N(4)-methylkopsininate |
| Molecular Formula | C21H26N2O2 |
| Molecular Weight | 338.45 |
| CAS Registry Number | 2089035-20-9 |
| SMILES | C[N+]12CCCC34CCC5(Nc6ccccc6C5(CC1)C32)C(C(=O)[O-])C4 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Apocynaceae | Kopsia officinalis | Aerial parts | 0.000318% | J Nat Prod, 2017, 80, 864-871. | 10.1021/acs.jnatprod.6b00697 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 25 | AlogP | 1.65 |
| TPSA | 52.16 | RotatableBonds | 1 |
| FractionCSP3 | 0.67 | Rings | 7 |
| AromaticRings | 1 | AliphaticRings | 6 |