NatID | 295 |
Common Name | 1,3-Dimethoxy-5-pentadecyl-benzene |
Molecular Formula | C29H52O2 |
Chemical Class | Benzene and substituted derivatives > Methoxybenzenes |
Molecular Weight | 432.397 g/mol |
Other names |
Smiles | CCCCCCCCCCCCCCCCCCCCCc1cc(OC)cc(OC)c1 |
Inchi | InChI=1S/C29H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30-2)26-29(25-27)31-3/h24-26H,4-23H2,1-3H3 |
Inchi Key | CGHRAXIZYRXFKL-UHFFFAOYSA-N |
3D Structure |
clogP | 9.68 |
TPSA | 18.46 |
HBD | 0 |
HBA | 2 |
Rotatable Bonds | 22 |
Aromatic Rings | 1 |
Heavy Atoms | 31 |
Aromatic Carbocycles | 1 |
Aromatic Heterocycles | 0 |
Number of NO | 2 |
EID | Source | Semisynthetic? | Confidence level | References |
---|---|---|---|---|
9953 | 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 |
---|---|---|---|---|
Loading... |