Ontology mapping
- Primary identifier
-
CHEBI:86154 - Ontology label
- bromocresol purple
Physicochemical roles
- Role
- PH_INDICATOR
- Confidence
- 0.6
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Assigned by in-session Claude reasoning (no external API)
- Curator note
- Provisional in-session LLM role assignment; review recommended.
Synonyms (4)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-2,1lambda(6)-benzoxathiole-1,1(3H)-dione | EXACT_SYNONYM | kg_microbe | |
| 5',5""-dibromo-o-cresolsulfophthalein | EXACT_SYNONYM | kg_microbe | |
| HSDB 7729 | EXACT_SYNONYM | kg_microbe | |
| bromocresol purple" | EXACT_SYNONYM | kg_microbe |
Chemical properties
- Cas rn
- 115-40-2
- Data source
- PubChem API
- Retrieval date
- 2026-04-05T19:51:14.840548+00:00
- Molecular formula
- C21H16Br2O5S
- Inchi
- InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
- Smiles
- Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O
Evidence (1)
DATABASE_MATCH
via CultureMech
Imported from CultureMech pipeline, quality=DIRECT_MATCH
Occurrence statistics
- Total occurrences
- 9
- Distinct media
- 9
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-03-09T06:54:18.022301+00:00 | import_from_culturemech | IMPORTED | MAPPED | Initial import from CultureMech pipeline |
| 2026-04-05T19:51:14.840594+00:00 | fetch_cas_rn_from_pubchem | ADDED_CAS_RN | MAPPED | Added CAS-RN:115-40-2 from PubChem API via name lookup (Bromocresol purple) |
| 2026-04-18T00:00:00+00:00 | cbclaw_kg_microbe_sweep LLM | ADDED_SYNONYMS | MAPPED | Added 4 synonyms from kg-microbe P4.4 enrichment: "3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-2,1lambda(6)-benzoxathiole-1,1(3H)-dione, 5',5""-dibromo-o-cresolsulfophthalein, HSDB 7729, bromocresol purple" |
| 2026-05-01T07:35:32.452341+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.266327+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C21H16Br2O5S; inchi=InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24); smiles=Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc | |
| 2026-05-02T03:12:12.888131+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-09T04:56:30.247792+00:00 | claude_in_session_curation | ANNOTATED | Added media role: PH_INDICATOR (confidence: 0.60) | |
| 2026-06-09T05:23:46.731755+00:00 | correct_stale_ontology_labels.py | CORRECTED | ontology_label 'Bromocresol purple' -> 'bromocresol purple': synced to canonical CHEBI label (preferred_term 'Bromocresol purple' unchanged). | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): PH_INDICATOR -> physicochemical_roles.PH_INDICATOR | |
| 2026-08-27T03:16:39.518454+00:00 | refresh_occurrence_statistics | CORRECTED | occurrence_statistics 6/6 -> 9/9 (media_count/total_occurrences), derived from distinct CultureMech recipe ids in the #337 occurrence table. The prior values came from the importer retired in #453, whose media_count counted a list truncated to 50 examples (#449). [source=ingredient_occurrences.tsv culturemech_rev=15a4da5c08 rows=194137 distinct_recipes=15257] |