General Characteristics
| NatID | 968 |
| Common Name | NatID_968 |
| Molecular Formula | C38H46O13 |
| Chemical Class | Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| Molecular Weight | 710.294 g/mol |
| Other names |
Representations
| Smiles | CC/C=C(\OC(C)=O)C1=C(OC(C)=O)C(C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC)cc(OC(C)=O)c(C(=O)CCC)c2OC(C)=O)C1=O |
| Inchi | InChI=1S/C38H46O13/c1-12-14-28(44)32-31(48-22(6)40)19-30(46-11)26(35(32)49-23(7)41)18-27-34(45)33(29(15-13-2)47-21(5)39)37(51-25(9)43)38(10,17-16-20(3)4)36(27)50-24(8)42/h15-16,19H,12-14,17-18H2,1-11H3/b29-15- |
| Inchi Key | DWBLEXGMPVWNJH-FDVSRXAVSA-N |
| 3D Structure |
Calculated Properties
| clogP | 6.51 |
| TPSA | 174.87 |
| HBD | 0 |
| HBA | 13 |
| Rotatable Bonds | 15 |
| Aromatic Rings | 1 |
| Heavy Atoms | 51 |
| Aromatic Carbocycles | 1 |
| Aromatic Heterocycles | 0 |
| Number of NO | 13 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9058 | 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 |
|---|---|---|---|---|
| Loading... | ||||