| BioID | bio197484 |
|---|
| Name | 2-HYDROXYESTRONE |
|---|
| ChEMBL ID | CHEMBL1627343 |
|---|
| Molecular Formula | C18H22O3 |
|---|
| Molecular Weight | 286.37 |
|---|
| Molecular Weight (Monoisotopic) | 286.1569 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-Hydroxyestrone |
|---|
| Smiles | C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1CCC2=O |
|---|
| Inchi | InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 |
|---|
| Inchi Key | SWINWPBPEKHUOD-JPVZDGGYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | 2.1 |
|---|
| Records Key | ['2-Hydroxyestrone', '15', '2-hydroxy-estrone'] |
|---|
| Records Name | ['2-Hydroxyestrone', '2,3-Dihydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one', '2-hydroxy-estrone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
