General Characteristics
| NatID | 1407 |
| Common Name | NatID_1407 |
| Molecular Formula | C20H26O4 |
| Chemical Class | Prenol lipids > Sesquiterpenoids |
| Molecular Weight | 330.183 g/mol |
| Other names |
Representations
| Smiles | C/C=C(\C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C |
| Inchi | InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-15(21)8-7-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6+/t13-,14-,18-,20+/m0/s1 |
| Inchi Key | WXXUTDJJIXJPLZ-WMUXPDRISA-N |
| 3D Structure |
Calculated Properties
| clogP | 4.32 |
| TPSA | 56.51 |
| HBD | 0 |
| HBA | 4 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 1 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 1 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10029 | Senecio filaginoides | No | Unknown | de Salmeron, M., Kavka, J., & Giordano, O. (1983). Furanoeremophilanes inSenecio filaginoidesandS. pinnatus. Planta Medica, 47(04), 221–223. https://doi.org/10.1055/s-2007-969991 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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