NatID | 1241 |
Common Name | NatID_1241 |
Molecular Formula | C17H16O5 |
Chemical Class | Naphthopyrans |
Molecular Weight | 300.100 g/mol |
Other names | 1832643-07-8 |
Smiles | C[C@@]12CCC[C@]3(COC1=O)C1=C(C=C[C@@H]23)C(=O)C=C(O)C1=O |
Inchi | InChI=1S/C17H16O5/c1-16-5-2-6-17(8-22-15(16)21)12(16)4-3-9-10(18)7-11(19)14(20)13(9)17/h3-4,7,12,19H,2,5-6,8H2,1H3/t12-,16-,17+/m0/s1 |
Inchi Key | WRJNWHSAWSCBOK-AFAVFJNCSA-N |
3D Structure |
clogP | 1.80 |
TPSA | 80.67 |
HBD | 1 |
HBA | 5 |
Rotatable Bonds | 0 |
Aromatic Rings | 0 |
Heavy Atoms | 22 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 5 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9528 | 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 |
10365 | Salvia cuspidata | No | Low | Troncoso, M. E., Germanó, M. J., Arrieta, V. J., García Bustos, M. F., Cifuente, D., Cargnelutti, D. E., & Lozano, E. S. (2023). Antiparasitic Activity of Two Natural Terpenes from Salvia cuspidata against Leishmania amazonensis. Journal of Natural Products, 86(4), 797–803. https://doi.org/10.1021/acs.jnatprod.2c00976 |
Bioassay ID | NPASS ID | Target | Activity type | Activity |
---|---|---|---|---|
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