General Characteristics
2D structure
NatID 292
Common Name 5-Heptadecylresorcinol,5-Heptadecyl-1,3-benzenediol
Molecular Formula C23H40O2
Chemical Class Phenols > Benzenediols
Molecular Weight 348.303 g/mol
Other names

 

Representations
Smiles CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1
Inchi InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3
Inchi Key BBGNINPPDHJETF-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 7.51
TPSA 40.46
HBD 2
HBA 2
Rotatable Bonds 16
Aromatic Rings 1
Heavy Atoms 25
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9956 Oxalis erythrorhiza No High Feresin, G. E., Tapia, A., Sortino, M., Zacchino, S., Arias, A. R. de, Inchausti, A., Yaluff, G., Rodriguez, J., Theoduloz, C., & Schmeda-Hirschmann, G. (2003). Bioactive alkyl phenols and embelin from Oxalis erythrorhiza. Journal of Ethnopharmacology, 88(2–3), 241–247. https://doi.org/10.1016/s0378-8741(03)00258-7

 

Bioassay ID NPASS ID Target Activity type Activity