General Characteristics
| NatID | 1583 |
| Common Name | NatID_1583 |
| Molecular Formula | C30H42O11 |
| Chemical Class | Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| Molecular Weight | 578.273 g/mol |
| Other names | 380151-60-0 |
Representations
| Smiles | CCC(C)C(=O)O[C@@H]1C[C@H]2[C@H](OC(=O)CC(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/c1-8-14(2)24(33)38-18-9-15-25(40-20(32)12-28(5,6)36)37-13-17-22-21(39-19(31)11-27(3,4)35)16-10-30(15,17)23(18)29(16,7)26(34)41-22/h13-16,18,21-23,25,35-36H,8-12H2,1-7H3/t14?,15-,16-,18+,21-,22+,23-,25-,29+,30-/m0/s1 |
| Inchi Key | HBLMXDBPKYZFAR-LZIUVSFNSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.55 |
| 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 |
|---|---|---|---|---|
| 10267 | 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 |
|---|---|---|---|---|
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