General Characteristics
| NatID | 1000 |
| Common Name | NatID_1000 |
| Molecular Formula | C15H26O |
| Chemical Class | Tetrahydrofurans |
| Molecular Weight | 222.198 g/mol |
| Other names |
Representations
| Smiles | C[C@H]1CC[C@@H]2C[C@]3(OC2(C)C)[C@H](C)CC[C@H]13 |
| Inchi | InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15-/m0/s1 |
| Inchi Key | GXMJXGUEPXEOGR-BGPZULBFSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.02 |
| TPSA | 9.23 |
| HBD | 0 |
| HBA | 1 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 1 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9098 | 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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