| BioID | bio199994 |
|---|
| Name | 2-HYDROXY-1,7-DI-(4-HYDROXY-PHENYL)-HEPTAN-4-ONE (ENANTIOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1097874 |
|---|
| Molecular Formula | C19H22O4 |
|---|
| Molecular Weight | 314.38 |
|---|
| Molecular Weight (Monoisotopic) | 314.1518 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | O=C(CCCc1ccc(O)cc1)CC(O)Cc1ccc(O)cc1 |
|---|
| Inchi | InChI=1S/C19H22O4/c20-16-8-4-14(5-9-16)2-1-3-18(22)13-19(23)12-15-6-10-17(21)11-7-15/h4-11,19-21,23H,1-3,12-13H2 |
|---|
| Inchi Key | FVVGYGITSTZVGV-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 0.89 |
|---|
| Records Key | ['32a, enantiomer', '32a, enantiomer', '32b'] |
|---|
| Records Name | ['2-Hydroxy-1,7-di-(4-hydroxy-phenyl)-heptan-4-one', '2-Hydroxy-1,7-di-(4-hydroxy-phenyl)-heptan-4-one', '2-Hydroxy-1,7-di-(4-hydroxy-phenyl)-heptan-4-one'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
