General Characteristics
| NatID | 678 |
| Common Name | 3α-hydroxycarvotagenone |
| Molecular Formula | C10H16O2 |
| Chemical Class | Prenol lipids > Monoterpenoids |
| Molecular Weight | 168.115 g/mol |
| Other names | 3α−hidroxicarvotagenona |
Representations
| Smiles | CC1=C[C@H](O)[C@@H](C(C)C)CC1=O |
| Inchi | InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10+/m1/s1 |
| Inchi Key | ZFUJCNJIGDBFEP-SCZZXKLOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.54 |
| TPSA | 37.30 |
| HBD | 1 |
| HBA | 2 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 12 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 2 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9854 | Artemisia douglasiana | No | High | Guerreiro, E., Garcia, E. E., Pestchanker, M. J., Enriz, R. D., Rodriguez, A. M., Maria, A., & Wendel, G. H. (1995). Cytoprotective Activity of Minor Constituents ofArtemisia Douglasiana. Natural Product Letters, 6(4), 269–280. https://doi.org/10.1080/10575639508043170 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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