CHEMGRID MOLECULE CARD
beta-TOXICAROL
beta-TOXICAROL in ChemGrid: 101 screened assays, 2 with significant responses. Explore chemical identifiers, strain activity and target evidence.
SPE00203010
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- SPE00203010
- Molecular formula
- C23H22O7
- InChIKey
- MTTUVGLGBORPBI-UHFFFAOYSA-N
- Libraries
- Spectrum
- Other recorded names
- 22-Hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),4,6,8,15,19,21-heptaen-2-one
Stored SMILES
COc1cc2OCC3Oc4cc5OC(C)(C)C=Cc5c(O)c4C(=O)C3c2cc1OCMatched external records: PubChem 3952178
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
101 measurements across 101 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 |
|---|---|---|---|
| vps1 | Spectrum | 4932 | -10.94 |
| SMI1 | Spectrum | 4932 | 6.34 |
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 |
| ATAD5 · ATPase family AAA domain-containing protein 5 | ChEMBL | No stored yeast mapping |
| ffp · 4'-phosphopantetheinyl transferase ffp | 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) |
| 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 |
| MAPT · Microtubule-associated protein tau | 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) |
| TP53 · Cellular tumor antigen p53 | ChEMBL analogue | No stored yeast mapping |
| 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 beta-TOXICAROL 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.