General Characteristics
2D structure
NatID 1305
Common Name NatID_1305
Molecular Formula C23H24O5
Chemical Class Cinnamic acids and derivatives > Cinnamic acids
Molecular Weight 380.162 g/mol
Other names

 

Representations
Smiles CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccc(O)cc1
Inchi InChI=1S/C23H24O5/c1-16(2)3-9-19-15-18(7-13-22(25)26)6-12-21(19)28-23(27)14-8-17-4-10-20(24)11-5-17/h3-7,10-13,15,24H,8-9,14H2,1-2H3,(H,25,26)/b13-7+
Inchi Key DEICLPOPLCYVIF-NTUHNPAUSA-N
3D Structure

 

Calculated Properties
clogP 4.54
TPSA 83.83
HBD 2
HBA 4
Rotatable Bonds 8
Aromatic Rings 2
Heavy Atoms 28
Aromatic Carbocycles 2
Aromatic Heterocycles 0
Number of NO 5

 

Experiments
EID Source Semisynthetic? Confidence level References
9621 Baccharis grisebachii No Very High Feresin, G. E., Tapia, A., Gimenez, A., Ravelo, A. G., Zacchino, S., Sortino, M., & Schmeda-Hirschmann, G. (2003). Constituents of the Argentinian medicinal plant Baccharis grisebachii and their antimicrobial activity. Journal of Ethnopharmacology, 89(1), 73–80. https://doi.org/10.1016/s0378-8741(03)00259-9

 

Bioassay ID NPASS ID Target Activity type Activity