General Characteristics
| NatID | 544 |
| Common Name | 3β-acetoxycarvotagenone |
| Molecular Formula | C12H18O3 |
| Chemical Class | Fatty Acyls > Fatty alcohol esters |
| Molecular Weight | 210.126 g/mol |
| Other names | 3β-acetoxicarvotagenona |
Representations
| Smiles | CC(=O)O[C@@H]1C=C(C)C(=O)C[C@@H]1C(C)C |
| Inchi | InChI=1S/C12H18O3/c1-7(2)10-6-11(14)8(3)5-12(10)15-9(4)13/h5,7,10,12H,6H2,1-4H3/t10-,12-/m1/s1 |
| Inchi Key | FVNRSXAIFHCDLC-ZYHUDNBSSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.11 |
| TPSA | 43.37 |
| HBD | 0 |
| HBA | 3 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 15 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9855 | 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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