General Characteristics
| NatID | 1024 |
| Common Name | NatID_1024 |
| Molecular Formula | C29H38O8 |
| Chemical Class | Organooxygen compounds > Carbonyl compounds |
| Molecular Weight | 514.257 g/mol |
| Other names |
Representations
| Smiles | CCCC(=O)C1=C(O)C(C)(CC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)C1=O |
| Inchi | InChI=1S/C29H38O8/c1-8-10-19(30)21-23(32)16(5)26(37-7)17(24(21)33)14-18-25(34)22(20(31)11-9-2)28(36)29(6,27(18)35)13-12-15(3)4/h12,32-33,35-36H,8-11,13-14H2,1-7H3 |
| Inchi Key | BXXHLIGCIPLUKH-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 5.88 |
| TPSA | 141.36 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 11 |
| Aromatic Rings | 1 |
| Heavy Atoms | 37 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9143 | 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 |
|---|---|---|---|---|
| Loading... | ||||