General Characteristics
2D structure
NatID 294
Common Name 3-Heptadecyl-5-Methoxyphenol
Molecular Formula C24H42O2
Chemical Class Phenols > Methoxyphenols
Molecular Weight 362.318 g/mol
Other names

 

Representations
Smiles CCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1
Inchi InChI=1S/C24H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(25)21-24(20-22)26-2/h19-21,25H,3-18H2,1-2H3
Inchi Key YLACRXRGEWUMJA-UHFFFAOYSA-N
3D Structure

 

Calculated Properties
clogP 7.81
TPSA 29.46
HBD 1
HBA 2
Rotatable Bonds 17
Aromatic Rings 1
Heavy Atoms 26
Aromatic Carbocycles 1
Aromatic Heterocycles 0
Number of NO 2

 

Experiments
EID Source Semisynthetic? Confidence level References
9954 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