General Characteristics
| NatID | 1733 |
| Common Name | NatID_1733 |
| Molecular Formula | C17H18O4 |
| Chemical Class | Naphthofurans |
| Molecular Weight | 286.121 g/mol |
| Other names | 76015-57-1 |
Representations
| Smiles | C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(COC(C)=O)=C3C[C@@H]12 |
| Inchi | InChI=1S/C17H18O4/c1-8-10-4-14(10)17(3)6-15-11(5-13(8)17)12(16(19)21-15)7-20-9(2)18/h6,10,13-14H,1,4-5,7H2,2-3H3/t10-,13+,14-,17-/m1/s1 |
| Inchi Key | UMDGLGBILDVFOU-KEAXFYSCSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.52 |
| TPSA | 52.60 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 21 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10455 | 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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