CHEMGRID MOLECULE CARD
KHELLIN
KHELLIN in ChemGrid: 205 screened assays, 2 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE00210866
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE00210866
- Molecular formula
- C14H12O5
- CAS registry number
- 82-02-0
- InChIKey
- HSMPDPBYAYSOBC-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, Spectrum_ED
- Other recorded names
- Khellin
Stored SMILES
COc1c2occc2c(OC)c2C(=O)C=C(C)Oc12Matched external records: PubChem 3828
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; 2 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 |
|---|---|---|---|
| lat1 | SPECMTS3 | 4932 | -4.32 |
| spt3 | SPECMTS3 | 4932 | -4.07 |
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) |
| APEX1 · DNA repair nuclease/redox regulator APEX1 | ChEMBL | No stored yeast mapping |
| CYP1A1 · Cytochrome P450 1A1 | ChEMBL | No stored yeast mapping |
| CYP1A2 · Cytochrome P450 1A2 | ChEMBL | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL | No stored yeast mapping |
| GALC · Galactocerebrosidase | ChEMBL | No stored yeast mapping |
| GLP1R · Glucagon-like peptide 1 receptor | ChEMBL | No stored yeast mapping |
| KAT2A · Histone acetyltransferase KAT2A | ChEMBL | BDF2 YDL070W (ortholog_many2many); BDF1 YLR399C (ortholog_many2many) |
| PDE4A · 3',5'-cyclic-AMP phosphodiesterase 4A | ChEMBL | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | 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) |
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 KHELLIN 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.