Ontology mapping
- Primary identifier
-
CHEBI:113532 - Ontology label
- thymoquinone
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 490-91-5
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C10H12O2
- Inchi
- InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
- Smiles
- CC1=CC(=O)C(C(C)C)=CC1=O
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT.
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:04:17.380972+00:00 | audit_integrate_culturebotht | CREATED_FROM_CULTUREBOTHT | MAPPED | Created from CultureBotHT compounds_to_cas.csv (CAS=490-91-5); Imported from CultureBotHT. |
| 2026-05-01T07:35:36.651783+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:32.730568+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C10H12O2; inchi=InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4; smiles=CC1=CC(=O)C(C(C)C)=CC1=O | |
| 2026-05-02T03:12:18.895330+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) |