General Characteristics
| NatID | 967 |
| Common Name | NatID_967 |
| Molecular Formula | C20H22O5 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 342.147 g/mol |
| Other names |
Representations
| Smiles | CC(C)C1=C(O)C(=O)C2=C(C=C[C@@H]3[C@]4(C)CCC[C@]23COC4=O)C1=O |
| Inchi | InChI=1S/C20H22O5/c1-10(2)13-15(21)11-5-6-12-19(3)7-4-8-20(12,9-25-18(19)24)14(11)17(23)16(13)22/h5-6,10,12,22H,4,7-9H2,1-3H3/t12-,19+,20-/m1/s1 |
| Inchi Key | GLZGGPIGEKRWCK-OITMNORJSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.82 |
| TPSA | 80.67 |
| HBD | 1 |
| HBA | 5 |
| Rotatable Bonds | 1 |
| Aromatic Rings | 0 |
| Heavy Atoms | 25 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9057 | Salvia cuspidata subsp. gilliesii | No | Very High | Nieto, M., Garcı́a, E. E., Giordano, O. S., & Tonn, C. E. (2000). Icetexane and abietane diterpenoids from Salvia gilliessi. Phytochemistry, 53(8), 911–915. https://doi.org/10.1016/s0031-9422(99)00480-x Lozano, E., Barrera, P., Tonn, C., Nieto, M., Sartor, T., & Sosa, M. A. (2012). The effect of the diterpene 5-epi-icetexone on the cell cycle of Trypanosoma cruzi. Parasitology International, 61(2), 275–279. https://doi.org/10.1016/j.parint.2011.11.001 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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