TPCN03423
![[object Object]](../../static/browser_molecular_png/TPCN03423.png)
| Name | Cafemide D |
| Molecular Formula | C36H57NO5 |
| Molecular Weight | 583.85 |
| CAS Registry Number | 2423991-11-9 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)NC5=CC(O)C4(C)C2CCC1C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Coffea arabica | Seeds | 0.000027% | None | 10.1021/acs.jafc.9b08149 |
Properties
| HBA | 6 | HBD | 3 |
| HeavyAtoms | 42 | AlogP | 7.28 |
| TPSA | 95.86 | RotatableBonds | 16 |
| FractionCSP3 | 0.83 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |