isobavachalcone

CHEBI:28106 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'. — 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:23086 CHEBI:23086
CHEBI:26195 CHEBI:26195

Chemical structure

Computed structure properties
Molecular formula	C20H20O4
Charge	0
Average mass	324.376 Da
Monoisotopic mass	324.13616 Da
Source	ChEBI
InChIKey	DUWPGRAKHMEPCM-IZZDOVSWSA-N

SMILES

CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O

InChI

InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+

Also called

(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one (EXACT_SYNONYM)— chebi
2',4,4'-trihydroxy-3'-(3-methyl-2-butenyl)chalcone (EXACT_SYNONYM)— chebi
Isobavachalcone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:20784-50-3
kegg.compound:C08648
knapsack:C00002381
lipidmaps:LMPK12120039
reaxys:2004917

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:28106`	isobavachalcone	`antibioticmech:chebi-359fe3ab04`	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.