General Characteristics
| NatID | 1453 |
| Common Name | NatID_1453 |
| Molecular Formula | C15H22O3 |
| Chemical Class | Naphthofurans |
| Molecular Weight | 250.157 g/mol |
| Other names | 350986-74-2 |
Representations
| Smiles | CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12 |
| Inchi | InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h5,10-11,13,17H,4,6-8H2,1-3H3/t10-,11+,13+,15-/m0/s1 |
| Inchi Key | SNBMCLVOVBJJOU-MDHDOXDCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.64 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10088 | 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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