General Characteristics
| NatID | 1135 |
| Common Name | NatID_1135 |
| Molecular Formula | C15H18O5 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 278.115 g/mol |
| Other names |
Representations
| Smiles | CC1=CCC(=O)[C@]2(C)CC[C@H]3[C@](C)(O)C(=O)O[C@@]34O[C@@]142 |
| Inchi | InChI=1S/C15H18O5/c1-8-4-5-10(16)12(2)7-6-9-13(3,18)11(17)19-15(9)14(8,12)20-15/h4,9,18H,5-7H2,1-3H3/t9-,12-,13-,14+,15+/m0/s1 |
| Inchi Key | LCXPFXMRWLVIAF-JLGPQHSXSA-N |
| 3D Structure |
Calculated Properties
| clogP | 1.09 |
| TPSA | 76.13 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 0 |
| Heavy Atoms | 20 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9318 | Vernonanthura pinguis | No | Unknown | Borkosky, S., Bardón, A., Catalán, C. A. N., Díaz, J. G., & Herz, W. (1997). Glaucolides, hirsutinolides and other sesquiterpene lactones from Vernonanthura pinguis. Phytochemistry, 44(3), 465–470. https://doi.org/10.1016/s0031-9422(96)00481-5 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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