General Characteristics
| NatID | 1334 |
| Common Name | NatID_1334 |
| Molecular Formula | C19H22O3 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 298.157 g/mol |
| Other names |
Representations
| Smiles | CC(C)=CCC/C(C)=C\COc1ccc2ccc(=O)oc2c1 |
| Inchi | InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11- |
| Inchi Key | RSDDHGSKLOSQFK-PTNGSMBKSA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.86 |
| TPSA | 39.44 |
| HBD | 0 |
| HBA | 3 |
| Rotatable Bonds | 6 |
| Aromatic Rings | 2 |
| Heavy Atoms | 22 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 1 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9662 | 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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