3',6-Dihydroxyflavone

Ontology mapping

Primary identifier: kgmicrobe.compound:36-dihydroxyflavone
Ontology term: CHEBI:24698 — hydroxyflavone
Ontology label: hydroxyflavone

Evidence (3)

DATABASE_MATCH via CultureBotHT

SUPERSEDED (#324): this evidence describes CID 676293, 6,3'-dimethoxyflavone, which is NOT this ingredient. Original note follows. Imported from CultureBotHT. CAS-RN 71592-46-6 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)

SUPERSEDED (#324): this evidence describes CID 676293, 6,3'-dimethoxyflavone, which is NOT this ingredient. Original note follows. Parent class identified via pubchem-xref; matched_via='pubchem CID 676293'

DATABASE_MATCH via MIM curation (#324)

Re-grounded per MAPPING_SEMANTICS §3 step 3. The label names PubChem CID 688662 6,3'-dihydroxyflavone (C15H10O4, InChIKey YHLLABKHTFWHSZ-UHFFFAOYSA-N), whose synonyms include the literal string "3',6-DIHYDROXYFLAVONE". ChEBI has no term for it — 13 dihydroxyflavone terms exist, none the 6,3'- isomer, and an InChIKey lookup returns nothing — and PubChem lists no CAS for it, so steps 1 and 2 are both unavailable. Previous identifier cas:71592-46-6 belongs to CID 676293 6,3'-dimethoxyflavone (C17H14O4), two methyls heavier.

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:71592-46-6 as primary identifier; no CHEBI entry exists for this compound.
2026-05-01T07:35:31.869581+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (cas: primary (defined chemical))
2026-05-02T02:51:23.433451+00:00	auto_classify_ingredient_type	AUTO_BACKFILL_PUBCHEM_CHEMISTRY		molecular_formula=C17H14O4; smiles=COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)OC; inchi=InChI=1S/C17H14O4/c1-19-12-5-3-4-11(8-12)17-10-15(
2026-05-02T03:12:12.043621+00:00	auto_classify_ingredient_type	AUTO_CLASSIFY_INGREDIENT_TYPE		set ingredient_type=SINGLE_INGREDIENT (chemical structure populated (molecular_formula))
2026-05-02T04:38:04.259364+00:00	backfill_parent_terms	BACKFILL_PARENT_CHEBI		set ontology_mapping parent=CHEBI:107657 (pubchem-xref)
2026-08-10T00:00:00+00:00	fix_dihydroxyflavone_wrong_compound	CORRECTED_WRONG_COMPOUND		identifier cas:71592-46-6 -> kgmicrobe.compound:36-dihydroxyflavone; ontology_mapping CHEBI:107657 (a dimethoxy compound) -> CHEBI:24698 hydroxyflavone NARROW_MATCH; chemical_properties cleared (they described CID 676293, not this ingredient: C17H14O4, CID 676293, sourced CultureBotHT compounds_to_cas.csv). Root cause is the CAS in compounds_to_cas.csv, which belongs to 6,3'-dimethoxyflavone; the chemistry and parent backfills then followed it and agreed with each other, so no internal check could see the conflict (#324).