CHEMGRID MOLECULE CARD
DEGUELIN(-)
DEGUELIN(-) in ChemGrid: 205 screened assays, 2 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE00201138
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE00201138
- Molecular formula
- C23H22O6
- CAS registry number
- 522-17-8
- InChIKey
- ORDAZKGHSNRHTD-UHFFFAOYSA-N
- Libraries
- Spectrum, SPECMTS3, Spectrum_ED
- Other recorded names
- DEGUELIN; Deguelin; (-)-Deguelin;(-)-cis-Deguelin
Stored SMILES
COc1cc2OCC3Oc4c(ccc5OC(C)(C)C=Cc54)C(=O)C3c2cc1OCMatched external records: PubChem 107935 PubChem 606171
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 |
|---|---|---|---|
| MT2481-pdr1pdr3-2nd | SPECMTS3 | 4932 | -6.42 |
| spt3 | SPECMTS3 | 4932 | -6.27 |
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 |
| Heat shock protein HSP90 | ChEMBL | No stored yeast mapping |
| CYP2D6 · Cytochrome P450 2D6 | ChEMBL | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL | No stored yeast mapping |
| HIF1A · Hypoxia-inducible factor 1-alpha | ChEMBL | No stored yeast mapping |
| HSP90AA1 · Heat shock protein HSP 90-alpha | ChEMBL | HSC82 YMR186W (ortholog_many2many); HSP82 YPL240C (ortholog_many2many) |
| MAPT · Microtubule-associated protein tau | ChEMBL | No stored yeast mapping |
| Rorc · Nuclear receptor ROR-gamma | ChEMBL | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | ChEMBL | No stored yeast mapping |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL | TDP1 YBR223C (ortholog_one2one) |
| TP53 · Cellular tumor antigen p53 | ChEMBL | No stored yeast mapping |
| TSHR · Thyrotropin receptor | 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) |
| Cruzipain | ChEMBL analogue | No stored yeast mapping |
| ATAD5 · ATPase family AAA domain-containing protein 5 | ChEMBL analogue | No stored yeast mapping |
| ffp · 4'-phosphopantetheinyl transferase ffp | ChEMBL analogue | No stored yeast mapping |
| Rorc · Nuclear receptor ROR-gamma | ChEMBL analogue | No stored yeast mapping |
| SMN1 · Survival motor neuron protein | ChEMBL analogue | No stored yeast mapping |
| TDP1 · Tyrosyl-DNA phosphodiesterase 1 | ChEMBL analogue | TDP1 YBR223C (ortholog_one2one) |
| USP1 · Ubiquitin carboxyl-terminal hydrolase 1 | ChEMBL analogue | 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 DEGUELIN(-) 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.