General Characteristics
| NatID | 970 |
| Common Name | NatID_970 |
| Molecular Formula | C30H40O8 |
| Chemical Class | Organooxygen compounds > Carbonyl compounds |
| Molecular Weight | 528.272 g/mol |
| Other names |
Representations
| Smiles | CCCCCC(=O)c1c(O)cc(OC)c(CC2=C(O)C(C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c1O |
| Inchi | InChI=1S/C30H40O8/c1-7-9-10-12-21(32)24-22(33)16-23(38-6)18(26(24)34)15-19-27(35)25(20(31)11-8-2)29(37)30(5,28(19)36)14-13-17(3)4/h13,16,33-34,36-37H,7-12,14-15H2,1-6H3 |
| Inchi Key | MSCBLCWICMOXIW-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 6.35 |
| TPSA | 141.36 |
| HBD | 4 |
| HBA | 8 |
| Rotatable Bonds | 13 |
| Aromatic Rings | 1 |
| Heavy Atoms | 38 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 8 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9061 | Elaphoglossum piloselloides | No | Very High | Socolsky, C., Borkosky, S. A., Asakawa, Y., & Bardón, A. (2009). Molluscicidal Phloroglucinols from the Fern Elaphoglossum piloselloides. Journal of Natural Products, 72(4), 787–790. https://doi.org/10.1021/np800724h |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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