SAFROLE

Identity and chemistry

ChemGrid identifier

SPE01503620

Molecular formula

C10H10O2

CAS registry number

94-59-7

InChIKey

ZMQAAUBTXCXRIC-UHFFFAOYSA-N

Libraries

Spectrum, SPECMTS3, Spectrum_ED

Other recorded names

Safrole

Matched external records: PubChem 5144

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; 1 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.

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.

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.

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.