General Characteristics
2D structure
NatID 1242
Common Name NatID_1242
Molecular Formula C20H20O5
Chemical Class Naphthopyrans
Molecular Weight 340.131 g/mol
Other names

 

Representations
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

 

Calculated Properties
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

 

Experiments
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