General Characteristics
| NatID | 981 |
| Common Name | NatID_981 |
| Molecular Formula | C15H24O |
| Chemical Class | Organooxygen compounds > Alcohols and polyols |
| Molecular Weight | 220.183 g/mol |
| Other names |
Representations
| Smiles | C=C[C@]1(C)[C@@H](O)CCC(=C)[C@@H]1/C=C/C(C)C |
| Inchi | InChI=1S/C15H24O/c1-6-15(5)13(9-7-11(2)3)12(4)8-10-14(15)16/h6-7,9,11,13-14,16H,1,4,8,10H2,2-3,5H3/b9-7+/t13-,14-,15-/m0/s1 |
| Inchi Key | DXMDZNOPRIYRBA-DUIMAYQASA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.72 |
| TPSA | 20.23 |
| HBD | 1 |
| HBA | 1 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9078 | 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 |
|---|---|---|---|---|
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