General Characteristics
| NatID | 1713 |
| Common Name | NatID_1713 |
| Molecular Formula | C14H18O3 |
| Chemical Class | Fatty Acyls > Fatty alcohol esters |
| Molecular Weight | 234.126 g/mol |
| Other names | 655243-26-8 |
Representations
| Smiles | CC1(C)C[C@H]2C[C@H]2C2=CC(=O)O[C@@]3(C)O[C@@]23C1 |
| Inchi | InChI=1S/C14H18O3/c1-12(2)6-8-4-9(8)10-5-11(15)16-13(3)14(10,7-12)17-13/h5,8-9H,4,6-7H2,1-3H3/t8-,9-,13+,14+/m1/s1 |
| Inchi Key | GDZLNLDEEOHCCG-ZHMYYEFOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.41 |
| TPSA | 38.83 |
| HBD | 0 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10435 | Porella swartziana | No | Low | Bovi Mitre, G., Kamiya, N., Bardón, A., & Asakawa, Y. (2003). Africane-Type Sesquiterpenoids from the Argentine Liverwort Porella swartziana and Their Antibacterial Activity. Journal of Natural Products, 67(1), 31–36. https://doi.org/10.1021/np030074z |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||