NatID | 1242 |
Common Name | NatID_1242 |
Molecular Formula | C20H20O5 |
Chemical Class | Naphthopyrans |
Molecular Weight | 340.131 g/mol |
Other names |
Smiles | C=CCOC1=CC(=O)C2=C(C1=O)[C@]13CCC[C@](C)(C(=O)OC1)[C@@H]3C=C2 |
Inchi | InChI=1S/C20H20O5/c1-3-9-24-14-10-13(21)12-5-6-15-19(2)7-4-8-20(15,11-25-18(19)23)16(12)17(14)22/h3,5-6,10,15H,1,4,7-9,11H2,2H3/t15-,19-,20+/m0/s1 |
Inchi Key | QVGIIFRXJSJHFU-RYGJVYDSSA-N |
3D Structure |
clogP | 2.44 |
TPSA | 69.67 |
HBD | 0 |
HBA | 5 |
Rotatable Bonds | 3 |
Aromatic Rings | 0 |
Heavy Atoms | 25 |
Aromatic Carbocycles | 0 |
Aromatic Heterocycles | 0 |
Number of NO | 5 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9529 | 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 |
---|---|---|---|---|
Loading... |