General Characteristics
| NatID | 456 |
| Common Name | 2-Hydroxytomentosin |
| Molecular Formula | C15H22O4 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 266.152 g/mol |
| Other names |
Representations
| Smiles | C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]([C@H](O)CC(C)=O)CC[C@H]12 |
| Inchi | InChI=1S/C15H22O4/c1-8-6-14-12(10(3)15(18)19-14)5-4-11(8)13(17)7-9(2)16/h8,11-14,17H,3-7H2,1-2H3/t8-,11-,12+,13+,14+/m0/s1 |
| Inchi Key | ZZURGMOHXZITJV-RDSIVUJASA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.86 |
| TPSA | 63.60 |
| HBD | 1 |
| HBA | 4 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9906 | Xanthium orientale | No | High | de Riscala, E. C., Fortuna, M. A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1994). Xanthanolides and a bis-norxanthanolide from Xanthium cavanillesii. Phytochemistry, 35(6), 1588–1589. https://doi.org/10.1016/s0031-9422(00)86900-9 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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