TPCN03421
![[object Object]](../../static/browser_molecular_png/TPCN03421.png)
| Name | Cafemide A |
| Molecular Formula | C36H57NO4 |
| Molecular Weight | 567.86 |
| CAS Registry Number | 2423991-05-1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)NC5=CCC4(C)C2CCC1C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Coffea arabica | Seeds | 0.000051% | Journal of Agricultural and Food Chemistry 68, 6112-6121 (2020). | 10.1021/acs.jafc.9b08149 |
Properties
| HBA | 5 | HBD | 2 |
| HeavyAtoms | 41 | AlogP | 8.31 |
| TPSA | 75.63 | RotatableBonds | 16 |
| FractionCSP3 | 0.83 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |