General Characteristics
| NatID | 1722 |
| Common Name | NatID_1722 |
| Molecular Formula | C20H22O5 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 342.147 g/mol |
| Other names | 1619942-27-6 |
Representations
| Smiles | C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(COC(=O)C=C(C)C)C(=O)O[C@@]13O[C@H]32 |
| Inchi | InChI=1S/C20H22O5/c1-9(2)5-16(21)23-8-12-15-7-13-10(3)11-6-14(11)19(13,4)18-20(15,25-18)24-17(12)22/h5,11,13-14,18H,3,6-8H2,1-2,4H3/t11-,13+,14-,18+,19-,20-/m1/s1 |
| Inchi Key | FAMQFDOGESNAQV-UFNVSVSTSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.68 |
| TPSA | 65.13 |
| HBD | 0 |
| HBA | 5 |
| Rotatable Bonds | 3 |
| Aromatic Rings | 0 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10444 | Hyalis argentea var. latisquama | No | Low | Fernández, L. R., Butassi, E., Svetaz, L., Zacchino, S. A., Palermo, J. A., & Sánchez, M. (2014). Antifungal Terpenoids from Hyalis argentea var. latisquama. Journal of Natural Products, 77(7), 1579–1585. https://doi.org/10.1021/np500032u |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||