General Characteristics
| NatID | 356 |
| Common Name | 6-Hydroxytremetone |
| Molecular Formula | C13H14O3 |
| Chemical Class | Benzene and substituted derivatives > Acetophenones |
| Molecular Weight | 218.094 g/mol |
| Other names |
Representations
| Smiles | C=C(C)[C@H]1Cc2cc(C(C)=O)c(O)cc2O1 |
| Inchi | InChI=1S/C13H14O3/c1-7(2)12-5-9-4-10(8(3)14)11(15)6-13(9)16-12/h4,6,12,15H,1,5H2,2-3H3/t12-/m1/s1 |
| Inchi Key | FHJSLVLVJPGFRY-GFCCVEGCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.47 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 16 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9077 | 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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