General Characteristics
| NatID | 1734 |
| Common Name | NatID_1734 |
| Molecular Formula | C15H16O3 |
| Chemical Class | Naphthofurans |
| Molecular Weight | 244.110 g/mol |
| Other names | 76015-58-2 |
Representations
| Smiles | C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(CO)=C3C[C@@H]12 |
| Inchi | InChI=1S/C15H16O3/c1-7-8-3-12(8)15(2)5-13-9(4-11(7)15)10(6-16)14(17)18-13/h5,8,11-12,16H,1,3-4,6H2,2H3/t8-,11+,12-,15-/m1/s1 |
| Inchi Key | JIAZAZPRSFTUJT-ZBTLEPIDSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.95 |
| TPSA | 46.53 |
| HBD | 1 |
| HBA | 3 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 18 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 3 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10456 | Hyalis argentea var. latisquama | No | Low | Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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