CHEMGRID MOLECULE CARD
ISOBERGAPTENE
ISOBERGAPTENE in ChemGrid: 205 screened assays, 14 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE00300032
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE00300032
- Molecular formula
- C12H8O4
- CAS registry number
- 482-48-4
- InChIKey
- AJSPSRWWZBBIOR-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, Spectrum_ED
- Other recorded names
- Isobergapten
Stored SMILES
COc1cc2occc2c2OC(=O)C=Cc12Matched external records: PubChem 68082
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; 14 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 |
|---|---|---|---|
| rpa49 | SPECMTS3 | 4932 | -11.14 |
| ref2 | SPECMTS3 | 4932 | 8.41 |
| rad52 | Spectrum | 4932 | -6.91 |
| rom2 | Spectrum | 4932 | -6.12 |
| arf1 | Spectrum | 4932 | -5.47 |
| trk1 | SPECMTS3 | 4932 | 5.27 |
| bem2 | SPECMTS3 | 4932 | -5.24 |
| ser1 | Spectrum | 4932 | -5.14 |
| arx1 | Spectrum | 4932 | -5.06 |
| vps1 | Spectrum | 4932 | -4.85 |
| mms22 | SPECMTS3 | 4932 | -4.66 |
| POL32 | Spectrum | 4932 | -4.47 |
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 |
|---|---|---|
| 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) |
| EHMT2 · Histone-lysine N-methyltransferase EHMT2 | ChEMBL | SET2 YJL168C (ortholog_many2many) |
| GMNN · Geminin | ChEMBL | No stored yeast mapping |
| IDH1 · Isocitrate dehydrogenase [NADP] cytoplasmic | ChEMBL | IDP1 YDL066W (ortholog_many2many); IDP2 YLR174W (ortholog_many2many); IDP3 YNL009W (ortholog_many2many) |
| KDM4E · Lysine-specific demethylase 4E | ChEMBL | YJR119C (ortholog_one2many) |
| MAPT · Microtubule-associated protein tau | ChEMBL | No stored yeast mapping |
| USP1 · Ubiquitin carboxyl-terminal hydrolase 1 | ChEMBL | UBP13 YBL067C (ortholog_many2many); UBP9 YER098W (ortholog_many2many); UBP8 YMR223W (ortholog_many2many); UBP2 YOR124C (ortholog_many2many) |
| CBX1 · Chromobox protein homolog 1 | ChEMBL analogue | No stored yeast mapping |
| CYP1A1 · Cytochrome P450 1A1 | ChEMBL analogue | No stored yeast mapping |
| Dyrk1a · Dual specificity tyrosine-phosphorylation-regulated kinase 1A | ChEMBL analogue | No stored yeast mapping |
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 ISOBERGAPTENE 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.