General Characteristics
| NatID | 622 |
| Common Name | deacylcynaropicrin |
| Molecular Formula | C15H18O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 262.121 g/mol |
| Other names |
Representations
| Smiles | C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 |
| Inchi | InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1 |
| Inchi Key | VPRPYNVJJXOFKZ-SNIKSBKOSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.96 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9979 | Cyclolepis genistoides | No | High | Sosa, A., Fusco, M. R., Rossomando, P., Juárez, A., Robles, S., Petenatti, E., & Pelzer, L. (2011). Anti-inflammatory properties from isolated compounds ofCyclolepis genistoides. Pharmaceutical Biology, 49(7), 675–678. https://doi.org/10.3109/13880200903431467 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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