General Characteristics
| NatID | 577 |
| Common Name | nepetalactone |
| Molecular Formula | C10H14O2 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 166.099 g/mol |
| Other names |
Representations
| Smiles | CC1=COC(=O)[C@@H]2[C@@H](C)CC[C@H]12 |
| Inchi | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1 |
| Inchi Key | ZDKZHVNKFOXMND-NBEYISGCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.11 |
| TPSA | 26.30 |
| HBD | 0 |
| HBA | 2 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 12 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9890 | Nepeta cataria | No | High |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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