General Characteristics
| NatID | 462 |
| Common Name | Elaphogayanin B |
| Molecular Formula | C32H44O8 |
| Chemical Class | Organooxygen compounds > Carbonyl compounds |
| Molecular Weight | 556.304 g/mol |
| Other names |
Representations
| Smiles | CCCCCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCCCC)c2O)C1=O |
| Inchi | InChI=1S/C32H44O8/c1-7-9-11-13-22(33)26-24(35)18-25(40-6)20(28(26)36)17-21-29(37)27(23(34)14-12-10-8-2)31(39)32(5,30(21)38)16-15-19(3)4/h15,18,35-36,38-39H,7-14,16-17H2,1-6H3 |
| Inchi Key | GMCQBRQVLLYPRS-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 7.13 |
| TPSA | 141.36 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 15 |
| Aromatic Rings | 1 |
| Heavy Atoms | 40 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9140 | 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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