General Characteristics
| NatID | 1124 |
| Common Name | NatID_1124 |
| Molecular Formula | C19H24O7 |
| Chemical Class | Dihydrofurans > Furanones |
| Molecular Weight | 364.152 g/mol |
| Other names |
Representations
| Smiles | C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2 |
| Inchi | InChI=1S/C19H24O7/c1-10(2)16(21)24-13-7-11(3)19(23)6-5-18(4,26-19)8-14-15(13)12(9-20)17(22)25-14/h8,11,13,20,23H,1,5-7,9H2,2-4H3/b14-8+/t11-,13+,18-,19+/m1/s1 |
| Inchi Key | VSNXXZXCVFUXKD-LYUOXOCJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.50 |
| TPSA | 102.29 |
| HBD | 2 |
| HBA | 7 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9307 | Vernonanthura pinguis | No | Unknown | Borkosky, S., Bardón, A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1997). Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis. Phytochemistry, 44(3), 465–470. https://doi.org/10.1016/s0031-9422(96)00481-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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