General Characteristics
| NatID | 1333 |
| Common Name | NatID_1333 |
| Molecular Formula | C19H22O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 314.152 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CC(O)C/C(C)=C\COc1ccc2ccc(=O)oc2c1 |
| Inchi | InChI=1S/C19H22O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12,16,20H,9,11H2,1-3H3/b14-8- |
| Inchi Key | VNADFOGBKXRWGC-ZSOIEALJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.84 |
| TPSA | 59.67 |
| HBD | 1 |
| HBA | 4 |
| Rotatable Bonds | 6 |
| Aromatic Rings | 2 |
| Heavy Atoms | 23 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9661 | Baccharis darwinii | No | Very High | Kurdelas, R. R., Lima, B., Tapia, A., Egly Feresin, G., Gonzalez Sierra, M., Rodríguez, M. V., Zacchino, S., Enriz, R. D., & Freile, M. L. (2010). Antifungal Activity of Extracts and Prenylated Coumarins Isolated from Baccharis darwinii Hook & Arn. (Asteraceae). Molecules, 15(7), 4898–4907. https://doi.org/10.3390/molecules15074898 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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