Hymecromone Methyl Ether

cas:2555-28-4 chemically defined MAPPED CHEBI SYNONYM_MATCH

Ontology mapping

Primary identifier
cas:2555-28-4
Ontology term
CHEBI:107662 — 7-methoxy-4-methyl-1-benzopyran-2-one
Ontology label
7-methoxy-4-methyl-1-benzopyran-2-one

Chemical properties

Cas rn
2555-28-4
Data source
CultureBotHT compounds_to_cas.csv
Retrieval date
2026-04-29T06:51:33.117170+00:00
Molecular formula
C11H10O3
Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)OC
Inchi
InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
Pubchem cid
390807

Evidence (3)

DATABASE_MATCH via CultureBotHT

Imported from CultureBotHT. CAS-RN 2555-28-4 present, but no CHEBI entry exists (checked OAK CHEBI sqlite + PubChem CID synonyms). Curator can promote to a CHEBI primary if/when CHEBI adds the term.

DATABASE_MATCH via CHEBI via PubChem (pubchem-xref)

Parent class identified via pubchem-xref; matched_via='pubchem CID 390807'

DATABASE_MATCH via MIM curation (#326)

mapping_quality NARROW_MATCH -> SYNONYM_MATCH. The recorded molecular_formula is identical to CHEBI:107662's, and a 'parent' with an identical formula is not a parent — BACKFILL_PARENT_CHEBI found the term via a PubChem xref and filed it as one. Identity confirmed by InChIKey (UDFPKNSWSYBIHO-UHFFFAOYSA-N): the record's own cas_rn, written from CultureBotHT compounds_to_cas.csv at creation and so independent of this mapping, resolves in PubChem to the same key ChEBI records for the term. ontology_id is unchanged.

Occurrence statistics

Total occurrences
0
Distinct media
0

Curation history

TimestampCuratorActionNew statusChanges
2026-04-29T06:51:33.117170+00:00 audit_add_remaining_culturebotht CREATED_FROM_CAS_FALLBACK MAPPED Created with cas:2555-28-4 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:34.028520+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:53:32.339240+00:00 auto_classify_ingredient_type AUTO_BACKFILL_PUBCHEM_CHEMISTRY molecular_formula=C11H10O3; smiles=CC1=CC(=O)OC2=C1C=CC(=C2)OC; inchi=InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-
2026-05-02T03:12:15.060018+00:00 auto_classify_ingredient_type AUTO_CLASSIFY_INGREDIENT_TYPE set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:50:11.755362+00:00 backfill_parent_terms BACKFILL_PARENT_CHEBI set ontology_mapping parent=CHEBI:107662 (pubchem-xref)
2026-08-13T00:00:00+00:00 regrade_identical_formula_parents REGRADED_PARENT_TO_IDENTITY mapping_quality NARROW_MATCH -> SYNONYM_MATCH (#326); the narrowMatch parent is the same substance, confirmed by InChIKey via the record's own CAS.