General Characteristics
| NatID | 1383 |
| Common Name | NatID_1383 |
| Molecular Formula | C20H24O7 |
| Chemical Class | Prenol lipids > Terpene lactones |
| Molecular Weight | 376.152 g/mol |
| Other names |
Representations
| Smiles | CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1OC(=O)[C@@]23CCC[C@](C)(CO)C3[C@H]1O |
| Inchi | InChI=1S/C20H24O7/c1-8(2)9-12(22)10-11(14(24)13(9)23)20-6-4-5-19(3,7-21)17(20)15(25)16(10)27-18(20)26/h8,15-17,21,23,25H,4-7H2,1-3H3/t15-,16+,17?,19+,20-/m0/s1 |
| Inchi Key | BROROJVFCBHECH-TVHPQVIFSA-N |
| 3D Structure |
Calculated Properties
| clogP | 0.99 |
| TPSA | 121.13 |
| HBD | 3 |
| HBA | 7 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 27 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 7 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9868 | Salvia cuspidata subsp. gilliesii | No | Unknown | 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 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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