General Characteristics
2D structure
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