General Characteristics
2D structure
NatID 1159
Common Name NatID_1159
Molecular Formula C19H28O2
Chemical Class Phenols > Benzenediols
Molecular Weight 288.209 g/mol
Other names

 

Representations
Smiles CCCCC/C=C\C/C=C\CCCc1cc(O)cc(O)c1
Inchi InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h6-7,9-10,14-16,20-21H,2-5,8,11-13H2,1H3/b7-6-,10-9-
Inchi Key DWGFCVWXMWMPHS-HZJYTTRNSA-N
3D Structure

 

Calculated Properties
clogP 5.50
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 10
Aromatic Rings 1
Heavy Atoms 21
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9367 Lithraea molleoides No Very High Chiari, M. E., Joray, M. B., Ruiz, G., Palacios, S. M., & Carpinella, M. C. (2010). Tyrosinase inhibitory activity of native plants from central Argentina: Isolation of an active principle from Lithrea molleoides. Food Chemistry, 120(1), 10–14. https://doi.org/10.1016/j.foodchem.2009.09.061

 

Bioassay ID NPASS ID Target Activity type Activity