| BioID | bio2572 |
|---|
| Name | ISO RHODOPSIN |
|---|
| ChEMBL ID | CHEMBL257381 |
|---|
| Molecular Formula | C20H28O |
|---|
| Molecular Weight | 284.44 |
|---|
| Molecular Weight (Monoisotopic) | 284.214 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Cis-Retinal|Iso Rhodopsin |
|---|
| Smiles | CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=O)C(C)(C)CCC1 |
|---|
| Inchi | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+ |
|---|
| Inchi Key | NCYCYZXNIZJOKI-MKOSUFFBSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 19.0 |
|---|
| Np Likeness Score | 2.31 |
|---|
| Records Key | ['9-cis-retinaldehyde', 'Table 1, R6C1', '9-cis-retinal'] |
|---|
| Records Name | ['(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenal', 'Iso Rhodopsin', '9-cis-retinal'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
