CHEMGRID MOLECULE CARD
IRIGENOL
IRIGENOL in ChemGrid: 192 screened assays, 62 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE00201182
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE00201182
- Molecular formula
- C15H10O8
- CAS registry number
- 4935-93-7
- InChIKey
- DFURNQJNFBMYHM-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3
- Other recorded names
- Irigenol
Stored SMILES
Oc1cc2OC=C(C(=O)c2c(O)c1O)c1cc(O)c(O)c(O)c1Matched external records: PubChem 5781144
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
192 measurements across 192 distinct library–species–strain assays; 62 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 |
|---|---|---|---|
| SHM2 | Spectrum | 4932 | -23.08 |
| SWE1 | Spectrum | 4932 | -21.54 |
| DUN1 | Spectrum | 4932 | -20.21 |
| snf2 | SPECMTS3 | 4932 | -20.08 |
| pop2 | Spectrum | 4932 | -14.24 |
| SMI1 | Spectrum | 4932 | -14.09 |
| GIM3 | Spectrum | 4932 | -13.15 |
| Bck1 | Spectrum | 4932 | -13.08 |
| swi4 | SPECMTS3 | 4932 | -12.04 |
| ccr4 | SPECMTS3 | 4932 | -12.01 |
| ndi1 | SPECMTS3 | 4932 | -11.71 |
| bik1 | Spectrum | 4932 | -10.92 |
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 |
|---|---|---|
| APEX1 · DNA repair nuclease/redox regulator APEX1 | ChEMBL | No stored yeast mapping |
| fba · Fructose-bisphosphate aldolase | ChEMBL | SMI1 YGR229C (ortholog_one2many) |
| HPGD · 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | ChEMBL | AYR1 YIL124W (ortholog_one2one) |
| KDM4E · Lysine-specific demethylase 4E | ChEMBL | YJR119C (ortholog_one2many) |
| MAPT · Microtubule-associated protein tau | ChEMBL | No stored yeast mapping |
| POLK · DNA polymerase kappa | ChEMBL | TRF5 YNL299W (ortholog_many2many); PAP2 YOL115W (ortholog_many2many) |
| PTPRS · Receptor-type tyrosine-protein phosphatase S | ChEMBL | No stored yeast mapping |
| RECQL · ATP-dependent DNA helicase Q1 | ChEMBL | No stored yeast mapping |
| RGS17 · Regulator of G-protein signaling 17 | ChEMBL | No stored yeast mapping |
| RUNX1 · Runt-related transcription factor 1/Core-binding factor subunit beta | ChEMBL | No stored yeast mapping |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL | TDP1 YBR223C (ortholog_one2one) |
| VDR · Vitamin D3 receptor | ChEMBL | No stored yeast mapping |
| 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) |
| ALOX15 · Polyunsaturated fatty acid lipoxygenase ALOX15 | ChEMBL analogue | No stored yeast mapping |
| AOX1 · Aldehyde oxidase | ChEMBL analogue | No stored yeast mapping |
| BRCA1 · Breast cancer type 1 susceptibility protein | ChEMBL analogue | No stored yeast mapping |
| CA12 · Carbonic anhydrase 12 | ChEMBL analogue | No stored yeast mapping |
| CA7 · Carbonic anhydrase 7 | ChEMBL analogue | No stored yeast mapping |
| CBR1 · Carbonyl reductase [NADPH] 1 | ChEMBL analogue | YIR035C (ortholog_many2many); YIR036C (ortholog_many2many) |
| CYP19A1 · Aromatase | ChEMBL analogue | No stored yeast mapping |
| CYP1B1 · Cytochrome P450 1B1 | ChEMBL analogue | No stored yeast mapping |
| DPP4 · Dipeptidyl peptidase 4 | ChEMBL analogue | DAP2 YHR028C (ortholog_one2one) |
| ESR1 · Estrogen receptor | ChEMBL analogue | No stored yeast mapping |
| ESR2 · Estrogen receptor beta | ChEMBL analogue | No stored yeast mapping |
| ESRRA · Steroid hormone receptor ERR1 | ChEMBL analogue | No stored yeast mapping |
| ESRRB · Steroid hormone receptor ERR2 | 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 |
| KAT2A · Histone acetyltransferase KAT2A | ChEMBL analogue | BDF2 YDL070W (ortholog_many2many); BDF1 YLR399C (ortholog_many2many) |
| LMNA · Prelamin-A/C | ChEMBL analogue | No stored yeast mapping |
First 30 of 47 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 IRIGENOL 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.