General Characteristics
2D structure
NatID 1308
Common Name NatID_1308
Molecular Formula C19H24O3
Chemical Class Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives
Molecular Weight 300.173 g/mol
Other names

 

Representations
Smiles CC(C)=CCc1cc(/C=C/C(=O)O)cc(CC=C(C)C)c1O
Inchi InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+
Inchi Key KABCFARPAMSXCC-JXMROGBWSA-N
3D Structure

 

Calculated Properties
clogP 4.51
TPSA 57.53
HBD 2
HBA 2
Rotatable Bonds 6
Aromatic Rings 1
Heavy Atoms 22
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 3

 

Experiments
EID Source Semisynthetic? Confidence level References
9624 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