Bioactive Compound Details
| BioID | bio197973 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL457941 |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.41 |
| Molecular Weight (Monoisotopic) | 414.1315 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2',2' '-Dimethoxysesamin |
| Smiles | COc1c([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2OC)OCO3)ccc2c1OCO2 |
| Inchi | InChI=1S/C22H22O8/c1-23-19-11(3-5-15-21(19)29-9-27-15)17-13-7-26-18(14(13)8-25-17)12-4-6-16-22(20(12)24-2)30-10-28-16/h3-6,13-14,17-18H,7-10H2,1-2H3/t13-,14-,17+,18+/m0/s1 |
| Inchi Key | FYIHJFOIIUOEKY-LBTBCDHLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.82 |
| Records Key | ['4'] |
| Records Name | [2',2' '-dimethoxysesamin"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
