beta-thujaplicin (CHEBI:10447)

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ChEBI Name	β-thujaplicin

ChEBI ID	CHEBI:10447

ChEBI ASCII Name	beta-thujaplicin

Definition	A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:66015

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Formula

C10H12O2

Net Charge

Average Mass

164.20110

Monoisotopic Mass

164.08373

InChI

InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

InChIKey

FUWUEFKEXZQKKA-UHFFFAOYSA-N

SMILES

CC(C)c1cccc(=O)c(O)c1

Metabolite of Species	Details
Chamaecyparis obtusa (NCBI:txid13415)	See: PubMed
Thujopsis dolabrata (NCBI:txid13727)	See: PubMed
Thuja plicata (NCBI:txid3316)	See: PubMed

Roles Classification
Biological Role(s):	antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	antiplasmodial drug An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	β-thujaplicin (CHEBI:10447) has parent hydride cyclohepta-1,3,5-triene (CHEBI:37519) β-thujaplicin (CHEBI:10447) has role antibacterial agent (CHEBI:33282) β-thujaplicin (CHEBI:10447) has role antifungal agent (CHEBI:35718) β-thujaplicin (CHEBI:10447) has role antineoplastic agent (CHEBI:35610) β-thujaplicin (CHEBI:10447) has role antiplasmodial drug (CHEBI:64915) β-thujaplicin (CHEBI:10447) has role plant metabolite (CHEBI:76924) β-thujaplicin (CHEBI:10447) is a cyclic ketone (CHEBI:3992) β-thujaplicin (CHEBI:10447) is a enol (CHEBI:33823) β-thujaplicin (CHEBI:10447) is a monoterpenoid (CHEBI:25409)

IUPAC Name

2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one

Synonyms	Sources
2-hydroxy-4-isopropyl-cyclohepta2,4,6-trien-1-one	ChEBI
4-Isopropyltropolone	KEGG COMPOUND
beta-Thujaplicin	KEGG COMPOUND
Hinokitiol	KEGG COMPOUND

Last Modified

25 February 2016