AntibioticMech

sofalcone

CHEBI:135732 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:23086 CHEBI:23086
• CHEBI:25384 CHEBI:25384
• CHEBI:35618 CHEBI:35618

Chemical structure

Computed structure properties

Molecular formula	C27H30O6
Charge	0
Average mass	450.531 Da
Monoisotopic mass	450.20424 Da
Source	ChEBI
InChIKey	GFWRVVCDTLRWPK-KPKJPENVSA-N

SMILES

CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1

InChI

InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+

Also called

• Lavin (BRAND_NAME)— chebi
• Solon (BRAND_NAME)— chebi
• Tofalcone (BRAND_NAME)— chebi
• sofalcona (INN)— chebi
• sofalconum (INN)— chebi
• {5-[(3-methylbut-2-en-1-yl)oxy]-2-[(2E)-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-enoyl]phenoxy}acetic acid (EXACT_SYNONYM)— chebi
• 2-[5-[(3-methyl-2-buten-1-yl)oxy]-2-[3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-1-oxo-2-propen-1-yl]phenoxy]-acetic acid (EXACT_SYNONYM)— chebi
• SU-88 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:153175-87-2
• cas:64506-49-6
• drugbank:DB05197
• drugcentral:2456
• hmdb:HMDB0042013
• kegg.drug:D01956
• patent:CN1733682
• reaxys:2191482
• wikipedia.en:Sofalcone

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:135732	sofalcone	antibioticmech:chebi-de5a4ed09a	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.