General Characteristics
| NatID | 464 |
| Common Name | Elaphopilosin D |
| Molecular Formula | C28H36O8 |
| Chemical Class | Organooxygen compounds > Carbonyl compounds |
| Molecular Weight | 500.241 g/mol |
| Other names | Elaphopilosin D |
Representations
| Smiles | CCCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(O)cc(OC)c(C(=O)CCC)c2O)C1=O |
| Inchi | InChI=1S/C28H36O8/c1-7-9-18(29)22-21(36-6)14-20(31)16(24(22)32)13-17-25(33)23(19(30)10-8-2)27(35)28(5,26(17)34)12-11-15(3)4/h11,14,31-32,34-35H,7-10,12-13H2,1-6H3 |
| Inchi Key | PDICAQLRYGTWLW-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.57 |
| TPSA | 141.36 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 11 |
| Aromatic Rings | 1 |
| Heavy Atoms | 36 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9141 | Elaphoglossum gayanum | No | High | Socolsky, C., Borkosky, S. A., Hernández de Terán, M., Asakawa, Y., & Bardón, A. (2010). Phloroglucinols from the Argentine Ferns Elaphoglossum gayanum and E. piloselloides. Journal of Natural Products, 73(5), 901–904. https://doi.org/10.1021/np1000208 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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