| BioID | bio4169 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1095485 |
|---|
| Molecular Formula | C29H42O10 |
|---|
| Molecular Weight | 550.65 |
|---|
| Molecular Weight (Monoisotopic) | 550.2778 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar37 |
|---|
| Target Name | IBD4 |
|---|
| Synonyms | None |
|---|
| Smiles | CC(C)Cc1ccc(C(C)C(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(=O)O)cc1 |
|---|
| Inchi | InChI=1S/C29H42O10/c1-17(2)12-23-8-10-24(11-9-23)22(7)29(35)39-21(6)16-28(34)38-20(5)15-27(33)37-19(4)14-26(32)36-18(3)13-25(30)31/h8-11,17-22H,12-16H2,1-7H3,(H,30,31) |
|---|
| Inchi Key | HAYVEDYIPOBHRX-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | 0.21 |
|---|
| Records Key | ['IB4'] |
|---|
| Records Name | ['18-(4-isobutylphenyl)-3,7,11,15-tetramethyl-5,9,13,17-tetraoxo-4,8,12,16-tetraoxanonadecan-1-oic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
