General Characteristics
| NatID | 1452 |
| Common Name | NatID_1452 |
| Molecular Formula | C15H22O2 |
| Chemical Class | Naphthofurans |
| Molecular Weight | 234.162 g/mol |
| Other names | 23599-47-5 |
Representations
| Smiles | CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)OC[C@@H]12 |
| Inchi | InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,15+/m0/s1 |
| Inchi Key | UMUMRNRVJNFLPT-SLEUVZQESA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.32 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 17 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10087 | Drimys winteri | No | Low | Arias, H. R., Feuerbach, D., Schmidt, B., Heydenreich, M., Paz, C., & Ortells, M. O. (2018). Drimane Sesquiterpenoids Noncompetitively Inhibit Human α4β2 Nicotinic Acetylcholine Receptors with Higher Potency Compared to Human α3β4 and α7 Subtypes. Journal of Natural Products, 81(4), 811–817. https://doi.org/10.1021/acs.jnatprod.7b00893 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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