Ontology mapping
- Primary identifier
-
CHEBI:201752
Physicochemical roles
- Role
- SELECTIVE_AGENT
- Confidence
- 0.8
- Evidence
- Reference type
- COMPUTATIONAL_PREDICTION
- Reference text
- Inferred from curated media-role name pattern
- Curator note
- Provisional role from a curated name-pattern rule; review recommended.
Synonyms (1)
| Synonym | Type | Source | Occurrences |
|---|---|---|---|
| (4S,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride | EXACT_SYNONYM | chebi_synonym_review |
Chemical properties
- Cas rn
- 13803-65-1
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:04:17.380972+00:00
- Molecular formula
- C22H22N2O7.HCl
- Inchi
- InChI=1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H
- Smiles
- Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C1C2.Cl
Evidence (1)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti, Hans80metals.
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=13803-65-1); Imported from CultureBotHT. FEBA/Hans80 panels: Hans80Anti, Hans80metals. |
| 2026-05-01T07:35:32.203993+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (CHEBI primary) | |
| 2026-05-01T08:08:28.025777+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_CHEBI_CHEMISTRY | molecular_formula=C22H22N2O7.HCl; inchi=InChI=1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17; smiles=Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1(O)C(O)=C(C(N)=O)C( | |
| 2026-05-02T03:12:12.508512+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-06-02T07:05:13.386232+00:00 | infer_roles_from_name_lists | ANNOTATED | Added media role: SELECTIVE_AGENT (confidence: 0.80) | |
| 2026-07-20T00:00:00+00:00 | migrate_media_roles_to_facets | ANNOTATED | Migrated legacy media_roles to role facets (#128): SELECTIVE_AGENT -> physicochemical_roles.SELECTIVE_AGENT |