gancaonin I

CHEBI:69099 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by methoxy groups at positions 4 and 6, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:33572 CHEBI:33572
CHEBI:35618 CHEBI:35618
CHEBI:38830 CHEBI:38830

Chemical structure

Computed structure properties
Molecular formula	C21H22O5
Charge	0
Average mass	354.402 Da
Monoisotopic mass	354.14672 Da
Source	ChEBI
InChIKey	DKVBYQAVNNRVNN-UHFFFAOYSA-N

SMILES

COc1cc2oc(-c3ccc(O)cc3O)cc2c(OC)c1CC=C(C)C

InChI

InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3

Also called

4-[4,6-dimethoxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:126716-36-7
hmdb:HMDB0038756
lipidmaps:LMPK12160046
reaxys:3630169

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:69099`	gancaonin I	`antibioticmech:chebi-fdb0cebc4c`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
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.