AntibioticMech

5,6,7-trimethoxycoumarin

CHEBI:28126 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:23403 CHEBI:23403
• CHEBI:35618 CHEBI:35618

Chemical structure

Computed structure properties

Molecular formula	C12H12O5
Charge	0
Average mass	236.223 Da
Monoisotopic mass	236.06847 Da
Source	ChEBI
InChIKey	FOBNRKTURPWTQX-UHFFFAOYSA-N

SMILES

COc1cc2oc(=O)ccc2c(OC)c1OC

InChI

InChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3

Also called

• 5,6,7-trimethoxy-2H-chromen-2-one (EXACT_SYNONYM)— chebi
• 5,6,7-Trimethoxycoumarin (EXACT_SYNONYM)— chebi
• 5,6,7-trimethoxy-2H-1-benzopyran-2-one (EXACT_SYNONYM)— chebi
• fraxinol methyl ether (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:55085-47-7
• kegg.compound:C09313
• knapsack:C00002501
• reaxys:240375

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

• CHEBI:33282 CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record

Source	Native ID	Label	Minted CURIE	Version
CHEBI	CHEBI:28126	5,6,7-trimethoxycoumarin	antibioticmech:chebi-1f00d2b374	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.