CHEMGRID MOLECULE CARD
Gossypol
Gossypol in ChemGrid: 3 screened assays, 3 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest1031
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest1031
- Molecular formula
- C30H30O8
- CAS registry number
- 303-45-7
- InChIKey
- QBKSWRVVCFFDOT-UHFFFAOYSA-N
- Libraries
- Prestwick
Stored SMILES
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1OMatched external records: PubChem 3503
Chemical identifiers and library names are reproduced from ChemGrid records. Missing values are omitted.
Measured chemical–genetic activity
3 measurements across 3 distinct library–species–strain assays; 3 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 |
|---|---|---|---|
| TMPPre001 | Prestwick | 9606 | -5.81 |
| TMPPre002 | Prestwick | 9606 | -5.81 |
| TMPPre003 | Prestwick | 9606 | -4.42 |
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 |
|---|---|---|
| AKR1B1 · Aldo-keto reductase family 1 member B1 | ChEMBL | AAD3 YCR107W (ortholog_many2many); AAD4 YDL243C (ortholog_many2many); YPR1 YDR368W (ortholog_many2many); AAD10 YJR155W (ortholog_many2many); AAD14 YNL331C (ortholog_many2many); AAD15 YOL165C (ortholog_many2many); GCY1 YOR120W (ortholog_many2many) |
| ALOX12 · Polyunsaturated fatty acid lipoxygenase ALOX12 | ChEMBL | No stored yeast mapping |
| ASPH · Aspartyl/asparaginyl beta-hydroxylase | ChEMBL | No stored yeast mapping |
| BAD · Bcl2-associated agonist of cell death | ChEMBL | No stored yeast mapping |
| BCL2 · Apoptosis regulator Bcl-2 | ChEMBL | No stored yeast mapping |
| BCL2L1 · Bcl-2-like protein 1 | ChEMBL | No stored yeast mapping |
| guaB · Inosine-5'-monophosphate dehydrogenase | ChEMBL | No stored yeast mapping |
| LDHB · L-lactate dehydrogenase B chain | ChEMBL | MDH3 YDL078C (ortholog_many2many); MDH1 YKL085W (ortholog_many2many) |
| lef · Lethal factor | ChEMBL | No stored yeast mapping |
| MCL1 · Induced myeloid leukemia cell differentiation protein Mcl-1 | ChEMBL | No stored yeast mapping |
| POLB · DNA polymerase beta | ChEMBL | 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 Gossypol 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.