General Characteristics
| NatID | 1735 |
| Common Name | NatID_1735 |
| Molecular Formula | C20H30O4 |
| Chemical Class | Prenol lipids > Diterpenoids |
| Molecular Weight | 334.214 g/mol |
| Other names | 77658-46-9 |
Representations
| Smiles | C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(C)[C@H]1O)[C@@H]23 |
| Inchi | InChI=1S/C20H30O4/c1-17-6-4-7-18(2,16(22)23)13(17)5-8-20-10-11-9-12(14(17)20)24-19(11,3)15(20)21/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11-,12+,13+,14+,15-,17-,18-,19-,20-/m1/s1 |
| Inchi Key | RNEBMVMFRKVVMY-UXFRUBCJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.22 |
| TPSA | 66.76 |
| HBD | 2 |
| HBA | 3 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 24 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 10457 | 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 |
|---|---|---|---|---|
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