General Characteristics
| NatID | 1438 |
| Common Name | NatID_1438 |
| Molecular Formula | C24H20O10 |
| Chemical Class | Depsides and depsidones |
| Molecular Weight | 468.106 g/mol |
| Other names | 548-89-0 |
Representations
| Smiles | Cc1cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(O)cc3O)cc2O)cc(O)c1C(=O)O |
| Inchi | InChI=1S/C24H20O10/c1-10-4-13(25)7-16(26)20(10)23(31)34-15-6-12(3)21(18(28)9-15)24(32)33-14-5-11(2)19(22(29)30)17(27)8-14/h4-9,25-28H,1-3H3,(H,29,30) |
| Inchi Key | ATQPZSQVWCPVGV-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.57 |
| TPSA | 170.82 |
| HBD | 5 |
| HBA | 9 |
| Rotatable Bonds | 5 |
| Aromatic Rings | 3 |
| Heavy Atoms | 34 |
| Aromatic Carbocycles | 3 |
| Aromatic Heterocycles | 0 |
| Number of NO | 10 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10073 | Punctelia | No | Low | Maier, M. S., González Marimon, D. I., Stortz, C. A., & Adler, M. T. (1999). A Revised Structure for (−)-Dihydropertusaric Acid, a γ-Butyrolactone Acid from the Lichen Punctelia microsticta. Journal of Natural Products, 62(11), 1565–1567. https://doi.org/10.1021/np990110n |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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