Ontology mapping
- Primary identifier
-
cas:8025-81-8 - Ontology term
-
NCIT:C839— Spiramycin
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.
Chemical properties
- Cas rn
- 8025-81-8
- Data source
- CultureBotHT compounds_to_cas.csv
- Retrieval date
- 2026-04-29T06:51:33.117170+00:00
- Molecular formula
- C43H74N2O14
- Smiles
- CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C
- Inchi
- InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1
- Pubchem cid
- 5289394
Evidence (2)
DATABASE_MATCH
via CultureBotHT
Imported from CultureBotHT. CAS-RN 8025-81-8 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). FEBA/Hans80 panels: Hans80Anti. Curator can promote to a CHEBI primary if/when CHEBI adds the term.
DATABASE_MATCH
via NCIT via OLS (label-exact)
Parent class identified via label-exact; matched_via='Spiramycin'
Occurrence statistics
- Total occurrences
- 0
- Distinct media
- 0
Curation history
| Timestamp | Curator | Action | New status | Changes |
|---|---|---|---|---|
| 2026-04-29T06:51:33.117170+00:00 | audit_add_remaining_culturebotht | CREATED_FROM_CAS_FALLBACK | MAPPED | Created with cas:8025-81-8 as primary identifier; no CHEBI entry exists for this compound. |
| 2026-05-01T07:35:36.413739+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical)) | |
| 2026-05-02T02:55:27.323360+00:00 | auto_classify_ingredient_type | AUTO_BACKFILL_PUBCHEM_CHEMISTRY | molecular_formula=C43H74N2O14; smiles=CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2; inchi=InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42 | |
| 2026-05-02T03:12:18.579600+00:00 | auto_classify_ingredient_type | AUTO_CLASSIFY_INGREDIENT_TYPE | set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula)) | |
| 2026-05-02T05:02:15.087854+00:00 | backfill_parent_terms | BACKFILL_PARENT_NCIT | set ontology_mapping parent=NCIT:C839 (label-exact) | |
| 2026-06-02T07:05:13.394258+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 |