General Characteristics
| NatID | 1159 |
| Common Name | NatID_1159 |
| Molecular Formula | C19H28O2 |
| Chemical Class | Phenols > Benzenediols |
| Molecular Weight | 288.209 g/mol |
| Other names |
Representations
| Smiles | CCCCC/C=C\C/C=C\CCCc1cc(O)cc(O)c1 |
| Inchi | InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9- |
| Inchi Key | DWGFCVWXMWMPHS-HZJYTTRNSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.50 |
| TPSA | 40.46 |
| HBD | 2 |
| HBA | 2 |
| Rotatable Bonds | 10 |
| Aromatic Rings | 1 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9367 | Lithraea molleoides | No | Very High | Chiari, M. E., Joray, M. B., Ruiz, G., Palacios, S. M., & Carpinella, M. C. (2010). Tyrosinase inhibitory activity of native plants from central Argentina: Isolation of an active principle from Lithrea molleoides. Food Chemistry, 120(1), 10–14. https://doi.org/10.1016/j.foodchem.2009.09.061 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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