CHEMGRID MOLECULE CARD
Graveoline
Graveoline in ChemGrid: 3 screened assays, 3 with significant responses. Explore chemical identifiers, strain activity and target evidence.
Prest165
Explore activity & SONAR
Identity and chemistry
- ChemGrid identifier
- Prest165
- Molecular formula
- C17H13NO3
- CAS registry number
- 485-61-0
- InChIKey
- COBBNRKBTCBWQP-UHFFFAOYSA-N
- Libraries
- Prestwick
Stored SMILES
CN1C(=CC(=O)c2ccccc12)c1ccc2OCOc2c1Matched external records: PubChem 353825
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 |
|---|---|---|---|
| TMPPre003 | Prestwick | 9606 | -5.49 |
| TMPPre001 | Prestwick | 9606 | -4.51 |
| TMPPre002 | Prestwick | 9606 | -4.51 |
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 |
|---|---|---|
| CYP1A2 · Cytochrome P450 1A2 | ChEMBL | No stored yeast mapping |
| CYP2C19 · Cytochrome P450 2C19 | ChEMBL | DIT2 YDR402C (ortholog_one2many) |
| CYP2D6 · Cytochrome P450 2D6 | ChEMBL | No stored yeast mapping |
| CYP3A4 · Cytochrome P450 3A4 | ChEMBL | No stored yeast mapping |
| FTL · Ferritin light chain | ChEMBL | No stored yeast mapping |
| GLP1R · Glucagon-like peptide 1 receptor | ChEMBL | No stored yeast mapping |
| HIF1A · Hypoxia-inducible factor 1-alpha | ChEMBL | No stored yeast mapping |
| HPGD · 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | ChEMBL | AYR1 YIL124W (ortholog_one2one) |
| LMNA · Prelamin-A/C | ChEMBL | No stored yeast mapping |
| PTH1R · Parathyroid hormone/parathyroid hormone-related peptide receptor | ChEMBL | No stored yeast mapping |
| RAPGEF4 · Rap guanine nucleotide exchange factor 4 | ChEMBL | LTE1 YAL024C (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 Graveoline 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.