| BioID | bio2193 |
|---|
| Name | NEOLIGNAN 9-NOR-7,8-DEHYDRO-ISOLICARIN B |
|---|
| ChEMBL ID | CHEMBL571199 |
|---|
| Molecular Formula | C19H16O4 |
|---|
| Molecular Weight | 308.33 |
|---|
| Molecular Weight (Monoisotopic) | 308.1049 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | C=CCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 |
|---|
| Inchi | InChI=1S/C19H16O4/c1-3-4-12-7-14-10-16(23-19(14)18(8-12)20-2)13-5-6-15-17(9-13)22-11-21-15/h3,5-10H,1,4,11H2,2H3 |
|---|
| Inchi Key | QHQQIGTXXBIMFB-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 0.7 |
|---|
| Records Key | ['15'] |
|---|
| Records Name | ['Neolignan 9-nor-7,8-dehydro-isolicarin B'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
