General Characteristics
| NatID | 1582 |
| Common Name | NatID_1582 |
| Molecular Formula | C30H42O11 |
| Chemical Class | Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| Molecular Weight | 578.273 g/mol |
| Other names | 380151-59-7 380151-58-6 |
Representations
| Smiles | CCC(C)C(=O)O[C@@H]1C[C@H]2[C@H](OC(=O)C(C)C(C)O)OC=C3[C@H]4OC(=O)[C@]5(C)[C@@H](C[C@@]32[C@@H]15)[C@@H]4OC(=O)CC(C)(C)O |
| Inchi | InChI=1S/C30H42O11/c1-8-13(2)24(33)38-19-9-16-26(41-25(34)14(3)15(4)31)37-12-18-22-21(39-20(32)11-28(5,6)36)17-10-30(16,18)23(19)29(17,7)27(35)40-22/h12-17,19,21-23,26,31,36H,8-11H2,1-7H3/t13?,14?,15?,16-,17-,19+,21-,22+,23-,26-,29+,30-/m0/s1 |
| Inchi Key | MMIRPMYKPMCCEM-USQOIIBHSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.41 |
| TPSA | 154.89 |
| HBD | 2 |
| HBA | 11 |
| Rotatable Bonds | 9 |
| Aromatic Rings | 0 |
| Heavy Atoms | 41 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 11 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10266 | Trixis pallida | No | Low | Kotowicz, C., Hernández, L. R., Cerda-García-Rojas, C. M., Villecco, M. B., Catalán, C. A. N., & Joseph-Nathan, P. (2001). Absolute Configuration of Trixanolides from Trixis pallida. Journal of Natural Products, 64(10), 1326–1331. https://doi.org/10.1021/np010191z |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||