| BioID | bio2215 |
|---|
| Name | 6,8,8-TRIETHYL-2-(PHENANTHREN-9-YL) DESMOSDUMOTIN B |
|---|
| ChEMBL ID | CHEMBL498797 |
|---|
| Molecular Formula | C29H26O4 |
|---|
| Molecular Weight | 438.52 |
|---|
| Molecular Weight (Monoisotopic) | 438.1831 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | None |
|---|
| Smiles | CCC1=C(O)c2c(oc(-c3cc4ccccc4c4ccccc34)cc2=O)C(CC)(CC)C1=O |
|---|
| Inchi | InChI=1S/C29H26O4/c1-4-18-26(31)25-23(30)16-24(33-28(25)29(5-2,6-3)27(18)32)22-15-17-11-7-8-12-19(17)20-13-9-10-14-21(20)22/h7-16,31H,4-6H2,1-3H3 |
|---|
| Inchi Key | UMVXKGNBLBFYCY-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | 0.97 |
|---|
| Records Key | ['15', '33'] |
|---|
| Records Name | ['6,8,8-Triethyl-2-(phenanthren-9-yl) desmosdumotin B', 2-(Phenanthren-9'-yl)-6,8,8-triethyldesmosdumotin B"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
