Bioactive Compound Details
| BioID | bio197520 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL265926 |
| Molecular Formula | C18H23IO2 |
| Molecular Weight | 398.28 |
| Molecular Weight (Monoisotopic) | 398.0743 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Iodoestradiol |
| Smiles | C[C@]12CC[C@@H]3c4cc(I)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O |
| Inchi | InChI=1S/C18H23IO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 |
| Inchi Key | JZYOQPBSKIOCIK-XSSYPUMDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 65.0 |
| Bioactivities | 74.0 |
| Np Likeness Score | 2.0 |
| Records Key | ['Table I', '14', '6', '43', 'SID514461'] |
| Records Name | ['4-Iodo-15-methyl-(14S,15S)-tetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-triene-5,14-diol', '(13S,17S)-2-Iodo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', '2-iodoestradiol', '(13S,17S)-2-Iodo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol', 'SID514461'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
