General Characteristics
2D structure
NatID 1244
Common Name NatID_1244
Molecular Formula C19H18O6
Chemical Class Naphthopyrans
Molecular Weight 342.110 g/mol
Other names

 

Representations
Smiles CC(=O)OC1=CC(=O)C2=C(C1=O)[C@]13CCC[C@](C)(C(=O)OC1)[C@@H]3C=C2
Inchi InChI=1S/C19H18O6/c1-10(20)25-13-8-12(21)11-4-5-14-18(2)6-3-7-19(14,9-24-17(18)23)15(11)16(13)22/h4-5,8,14H,3,6-7,9H2,1-2H3/t14-,18-,19+/m0/s1
Inchi Key ZRDVZEQBMYVNSO-ZOCIIQOWSA-N
3D Structure

 

Calculated Properties
clogP 1.80
TPSA 86.74
HBD 0
HBA 6
Rotatable Bonds 1
Aromatic Rings 0
Heavy Atoms 25
Aromatic Carbocycles 0
Aromatic Heterocycles 0
Number of NO 6

 

Experiments
EID Source Semisynthetic? Confidence level References
9531 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