CHEMGRID MOLECULE CARD
ESTRONE
ESTRONE in ChemGrid: 205 screened assays, 13 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE01500286
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE01500286
- Molecular formula
- C18H22O2
- CAS registry number
- 53-16-7
- InChIKey
- DNXHEGUUPJUMQT-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, Spectrum_ED
- Other recorded names
- Ketohydroxy-Estratriene
Stored SMILES
CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=OMatched external records: PubChem 698
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
205 measurements across 205 distinct library–species–strain assays; 13 assays have at least one significant response (|Z| ≥ 4, p ≤ 0.001, excluding flagged outliers).
Responses are indirect screening phenotypes. They do not establish that a strain gene is a direct molecular target. Strains and timepoints are retained as recorded; these counts are not counts of unique ORFs.
| Strain | Library | Species identifier | Z-score |
|---|---|---|---|
| ypt6-2nd | Spectrum | 4932 | -11.97 |
| ypt6 | SPECMTS3 | 4932 | -10.94 |
| ser1 | Spectrum | 4932 | -9.03 |
| rgp1 | SPECMTS3 | 4932 | -8.31 |
| ric1-2nd | Spectrum | 4932 | -7.92 |
| ref2 | SPECMTS3 | 4932 | 7.45 |
| spt3 | SPECMTS3 | 4932 | -5.94 |
| vps1 | Spectrum | 4932 | -5.76 |
| ric1 | Spectrum | 4932 | -5.39 |
| YPT6 | Spectrum | 4932 | -4.52 |
| cla4 | Spectrum | 4932 | -4.35 |
| BRE1 | Spectrum | 4932 | -4.25 |
Spectrum compound-combination identifiers are excluded from this short table. The interactive profile retains the full measurements.
Recorded target evidence and yeast matches
Source annotations are shown separately from SONAR hypotheses. Evidence type and identity matching can vary; consult the linked source and interactive evidence panel.
| Target | Source | Yeast ORF / orthologue |
|---|---|---|
| ATAD5 · ATPase family AAA domain-containing protein 5 | ChEMBL | No stored yeast mapping |
| GLP1R · Glucagon-like peptide 1 receptor | ChEMBL | No stored yeast mapping |
| GMNN · Geminin | ChEMBL | No stored yeast mapping |
| P4HB · Protein disulfide-isomerase | ChEMBL | PDI1 YCL043C (ortholog_many2many); EUG1 YDR518W (ortholog_many2many) |
| ATAD5 · ATPase family AAA domain-containing protein 5 | ChEMBL analogue | No stored yeast mapping |
| GLP1R · Glucagon-like peptide 1 receptor | ChEMBL analogue | No stored yeast mapping |
| GMNN · Geminin | ChEMBL analogue | No stored yeast mapping |
| P4HB · Protein disulfide-isomerase | ChEMBL analogue | PDI1 YCL043C (ortholog_many2many); EUG1 YDR518W (ortholog_many2many) |
Structural activity predictions and SONAR
Stored structural activity predictions are available in the interactive profile, with assay-specific cutoffs and applicability-domain assessments.
SONAR ranks candidate targets through genetic and physical interaction evidence. Structural SONAR uses predicted strain responses; measured SONAR uses experimental responses. These are experimental hypotheses, not confirmed binding targets. Outside-domain predictions are treated as unknown.
Open the complete ESTRONE research profile →Sources and provenance
Screening measurements: ChemGrid chemical-genetic datasets. Wildenhain et al., Cell Systems (2015). Target annotations: sources named in the evidence table. Structure and library metadata: stored ChemGrid catalogue records.
Card snapshot: 2026-11-02. Linked interactive views may contain newer data.