General Characteristics
| NatID | 997 |
| Common Name | NatID_997 |
| Molecular Formula | C15H22O |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 218.167 g/mol |
| Other names |
Representations
| Smiles | C=C(C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1 |
| Inchi | InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1 |
| Inchi Key | KUFXJZXMWHNCEH-DOMZBBRYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.05 |
| TPSA | 17.07 |
| HBD | 0 |
| HBA | 1 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9095 | Xenophyllum incisum | No | Very High | de Marchese, M. J. A., Heluani, C. S. de, Catalán, C. A. N., Griffin, C. A., Vaughn, J. B., & Herz, W. (2007). Incisol, an alcohol with a novel sesquiterpene skeleton from Xenophyllum incisum. Biochemical Systematics and Ecology, 35(3), 169–175. https://doi.org/10.1016/j.bse.2006.10.006 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||