TPCN03066
![[object Object]](../../static/browser_molecular_png/TPCN03066.png)
| Name | Caffarolide E |
| Molecular Formula | C37H60O7 |
| Molecular Weight | 616.88 |
| CAS Registry Number | 2231781-67-0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CCC4C5=CC(=O)OC5(O)CC(OC)C4(C)C2CCC1C3 |
| Classify | Diterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rubiaceae | Coffea arabica | Seeds | 0.000080% | Food Chem 263, 251-257 (2018). | 10.1016/j.foodchem.2018.04.081 |
Properties
| HBA | 7 | HBD | 2 |
| HeavyAtoms | 44 | AlogP | 7.56 |
| TPSA | 102.29 | RotatableBonds | 17 |
| FractionCSP3 | 0.89 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |