| BioID | bio2664 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL482233 |
|---|
| Molecular Formula | C23H28O8 |
|---|
| Molecular Weight | 432.47 |
|---|
| Molecular Weight (Monoisotopic) | 432.1784 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | (8R,8'R,9'S)-5-Methoxyclusin |
|---|
| Smiles | COc1cc(C[C@@H]2[C@@H](Cc3cc(OC)c4c(c3)OCO4)CO[C@@H]2O)cc(OC)c1OC |
|---|
| Inchi | InChI=1S/C23H28O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16,23-24H,5-6,11-12H2,1-4H3/t15-,16+,23-/m0/s1 |
|---|
| Inchi Key | ADGULOHTKSMBCP-PXAQALGRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 1.37 |
|---|
| Records Key | ['2'] |
|---|
| Records Name | [(8R,8'R,9'S)-5-methoxyclusin"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
