| BioID | bio2126 |
|---|
| Name | 9-METHOXYSTROBILURIN A |
|---|
| ChEMBL ID | CHEMBL327689 |
|---|
| Molecular Formula | C17H20O4 |
|---|
| Molecular Weight | 288.34 |
|---|
| Molecular Weight (Monoisotopic) | 288.1362 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
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| Smiles | CO/C=C(C(=O)OC)\C(C)=C(/C=C/c1ccccc1)OC |
|---|
| Inchi | InChI=1S/C17H20O4/c1-13(15(12-19-2)17(18)21-4)16(20-3)11-10-14-8-6-5-7-9-14/h5-12H,1-4H3/b11-10+,15-12+,16-13+ |
|---|
| Inchi Key | STRDFSIYJVHPMO-CYXONCDGSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 11.0 |
|---|
| Bioactivities | 37.0 |
|---|
| Np Likeness Score | 1.3 |
|---|
| Records Key | ['9-methoxystrobilurin A', '2', '1 (9-methoxystrobilurin A)'] |
|---|
| Records Name | ['9-methoxystrobilurin A', '4-Methoxy-2-methoxymethylene-3-methyl-6-phenyl-hexa-3,5-dienoic acid methyl ester', '(3E,5E)-4-Methoxy-2-[1-methoxy-meth-(E)-ylidene]-3-methyl-6-phenyl-hexa-3,5-dienoic acid methyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
