CHEMGRID MOLECULE CARD
4-METHYLESCULETIN
4-METHYLESCULETIN in ChemGrid: 205 screened assays, 1 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE01500729
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE01500729
- Molecular formula
- C10H8O4
- InChIKey
- KVOJTUXGYQVLAJ-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, Spectrum_ED
- Other recorded names
- 4-Methylesculetin
Stored SMILES
CC1=CC(=O)Oc2cc(O)c(O)cc12Matched external records: PubChem 5319502
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; 1 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 |
|---|---|---|---|
| bem2 | SPECMTS3 | 4932 | -6.25 |
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 |
|---|---|---|
| Cruzipain | ChEMBL | No stored yeast mapping |
| AKR1B1 · Aldo-keto reductase family 1 member B1 | ChEMBL | AAD3 YCR107W (ortholog_many2many); AAD4 YDL243C (ortholog_many2many); YPR1 YDR368W (ortholog_many2many); AAD10 YJR155W (ortholog_many2many); AAD14 YNL331C (ortholog_many2many); AAD15 YOL165C (ortholog_many2many); GCY1 YOR120W (ortholog_many2many) |
| ALDH1A1 · Aldehyde dehydrogenase 1A1 | ChEMBL | ALD5 YER073W (ortholog_many2many); ALD3 YMR169C (ortholog_many2many); ALD2 YMR170C (ortholog_many2many); ALD4 YOR374W (ortholog_many2many); ALD6 YPL061W (ortholog_many2many) |
| HPGD · 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | ChEMBL | AYR1 YIL124W (ortholog_one2one) |
| HSD17B10 · 3-hydroxyacyl-CoA dehydrogenase type-2 | ChEMBL | No stored yeast mapping |
| KDM4E · Lysine-specific demethylase 4E | ChEMBL | YJR119C (ortholog_one2many) |
| MCL1 · Induced myeloid leukemia cell differentiation protein Mcl-1 | ChEMBL | No stored yeast mapping |
| MTOR · Serine/threonine-protein kinase mTOR | ChEMBL | No stored yeast mapping |
| SORD · Sorbitol dehydrogenase | ChEMBL | BDH1 YAL060W (ortholog_many2many); YAL061W (ortholog_many2many); YBL068W-A (ortholog_many2many); AST1 YBL069W (ortholog_many2many); YCR102C (ortholog_many2many); ADH7 YCR105W (ortholog_many2many); AST2 YER101C (ortholog_many2many); YLR460C (ortholog_many2many); ADH6 YMR318C (ortholog_many2many); YNL134C (ortholog_many2many) |
| THRB · Thyroid hormone receptor beta | ChEMBL | No stored yeast mapping |
| XDH · Xanthine dehydrogenase/oxidase | ChEMBL | No stored yeast mapping |
| Cruzipain | ChEMBL analogue | No stored yeast mapping |
| AKR1B1 · Aldo-keto reductase family 1 member B1 | ChEMBL analogue | AAD3 YCR107W (ortholog_many2many); AAD4 YDL243C (ortholog_many2many); YPR1 YDR368W (ortholog_many2many); AAD10 YJR155W (ortholog_many2many); AAD14 YNL331C (ortholog_many2many); AAD15 YOL165C (ortholog_many2many); GCY1 YOR120W (ortholog_many2many) |
| ALDH1A1 · Aldehyde dehydrogenase 1A1 | ChEMBL analogue | ALD5 YER073W (ortholog_many2many); ALD3 YMR169C (ortholog_many2many); ALD2 YMR170C (ortholog_many2many); ALD4 YOR374W (ortholog_many2many); ALD6 YPL061W (ortholog_many2many) |
| fba · Fructose-bisphosphate aldolase | ChEMBL analogue | SMI1 YGR229C (ortholog_one2many) |
| GMNN · Geminin | ChEMBL analogue | No stored yeast mapping |
| HPGD · 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | ChEMBL analogue | AYR1 YIL124W (ortholog_one2one) |
| HSD17B10 · 3-hydroxyacyl-CoA dehydrogenase type-2 | ChEMBL analogue | No stored yeast mapping |
| HSPA5 · Endoplasmic reticulum chaperone BiP | ChEMBL analogue | No stored yeast mapping |
| KDM4A · Lysine-specific demethylase 4A | ChEMBL analogue | YJR119C (ortholog_one2many) |
| KDM4E · Lysine-specific demethylase 4E | ChEMBL analogue | YJR119C (ortholog_one2many) |
| LMNA · Prelamin-A/C | ChEMBL analogue | No stored yeast mapping |
| MAPT · Microtubule-associated protein tau | ChEMBL analogue | No stored yeast mapping |
| MCL1 · Induced myeloid leukemia cell differentiation protein Mcl-1 | ChEMBL analogue | No stored yeast mapping |
| MTOR · Serine/threonine-protein kinase mTOR | ChEMBL analogue | No stored yeast mapping |
| RACGAP1 · Rac GTPase-activating protein 1 | ChEMBL analogue | No stored yeast mapping |
| SORD · Sorbitol dehydrogenase | ChEMBL analogue | BDH1 YAL060W (ortholog_many2many); YAL061W (ortholog_many2many); YBL068W-A (ortholog_many2many); AST1 YBL069W (ortholog_many2many); YCR102C (ortholog_many2many); ADH7 YCR105W (ortholog_many2many); AST2 YER101C (ortholog_many2many); YLR460C (ortholog_many2many); ADH6 YMR318C (ortholog_many2many); YNL134C (ortholog_many2many) |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL analogue | TDP1 YBR223C (ortholog_one2one) |
| THRB · Thyroid hormone receptor beta | ChEMBL analogue | No stored yeast mapping |
| Txnrd1 · Thioredoxin reductase 1, cytoplasmic | ChEMBL analogue | TRR1 YDR353W (ortholog_many2many); TRR2 YHR106W (ortholog_many2many) |
First 30 of 33 target records; open the interactive profile for further evidence.
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 4-METHYLESCULETIN 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.