| BioID | bio2586 |
|---|
| Name | (+)-9'-ISOVALEROXYLARICIRESINOL |
|---|
| ChEMBL ID | CHEMBL1098920 |
|---|
| Molecular Formula | C25H32O7 |
|---|
| Molecular Weight | 444.52 |
|---|
| Molecular Weight (Monoisotopic) | 444.2148 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | (+)-9'-Isovaleroxylariciresinol |
|---|
| Smiles | COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2COC(=O)CC(C)C)ccc1O |
|---|
| Inchi | InChI=1S/C25H32O7/c1-15(2)9-24(28)31-14-19-18(10-16-5-7-20(26)22(11-16)29-3)13-32-25(19)17-6-8-21(27)23(12-17)30-4/h5-8,11-12,15,18-19,25-27H,9-10,13-14H2,1-4H3/t18-,19-,25+/m0/s1 |
|---|
| Inchi Key | VOGRFGIBINTSKJ-XHNVNVPESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 1.27 |
|---|
| Records Key | ['14', '9'] |
|---|
| Records Name | [(+)-9'-isovaleroxylariciresinol", "(+)-9'-isovaleroxylariciresinol"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
