General Characteristics
| NatID | 1243 |
| Common Name | NatID_1243 |
| Molecular Formula | C20H24O5Si |
| Chemical Class | Naphthopyrans |
| Molecular Weight | 372.139 g/mol |
| Other names |
Representations
| Smiles | C[C@@]12CCC[C@]3(COC1=O)C1=C(C=C[C@@H]23)C(=O)C=C(O[Si](C)(C)C)C1=O |
| Inchi | InChI=1S/C20H24O5Si/c1-19-8-5-9-20(11-24-18(19)23)15(19)7-6-12-13(21)10-14(17(22)16(12)20)25-26(2,3)4/h6-7,10,15H,5,8-9,11H2,1-4H3/t15-,19-,20+/m0/s1 |
| Inchi Key | YABCEPWBYFNGPD-RYGJVYDSSA-N |
| 3D Structure |
Calculated Properties
| clogP | 3.09 |
| TPSA | 69.67 |
| HBD | 0 |
| HBA | 5 |
| Rotatable Bonds | 2 |
| Aromatic Rings | 0 |
| Heavy Atoms | 26 |
| Aromatic Carbocycles | 0 |
| Aromatic Heterocycles | 0 |
| Number of NO | 5 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9530 | Salvia cuspidata subsp. gilliesii | No | Very High | Lozano, E. S., Spina, R. M., Tonn, C. E., Sosa, M. A., & Cifuente, D. A. (2015). An abietane diterpene from Salvia cuspidata and some new derivatives are active against Trypanosoma cruzi. Bioorganic & Medicinal Chemistry Letters, 25(23), 5481–5484. https://doi.org/10.1016/j.bmcl.2015.10.082 |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
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