Bioactive Compound Details
| BioID | bio59482 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1095030 |
| Molecular Formula | C37H54O14 |
| Molecular Weight | 722.83 |
| Molecular Weight (Monoisotopic) | 722.3514 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar41 |
| Target Name | IBD6 |
| 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)OC(C)CC(=O)OC(C)CC(=O)O)cc1 |
| Inchi | InChI=1S/C37H54O14/c1-21(2)14-29-10-12-30(13-11-29)28(9)37(45)51-27(8)20-36(44)50-26(7)19-35(43)49-25(6)18-34(42)48-24(5)17-33(41)47-23(4)16-32(40)46-22(3)15-31(38)39/h10-13,21-28H,14-20H2,1-9H3,(H,38,39) |
| Inchi Key | MESHOAFPLFYEPK-UHFFFAOYSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.16 |
| Records Key | ['IB6'] |
| Records Name | ['26-(4-isobutylphenyl)-3,7,11,15,19,23-hexamethyl-5,9,13,17,21,25-hexaoxo-4,8,12,16,20,24-hexaoxaheptacosan-1-oic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
