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CHEBI:65638 - CJ-01

Default Structure
ChEBI IDCHEBI:65638
ChEBI NameCJ-01
Stars
DefinitionA sesquiterpenoid that is 4,4a,7,8,8a,9-hexahydronaphtho[2,3-b]furan substituted by methyl groups at positions 3, 5 and 8a and an oxo group at position 9 (the 4aS,8aS stereoisomer). It is isolated from the methanol extract of the whole plant of Chloranthus japonicus and acts as a chitin synthase inhibitor. CJ-01 also shows antifungal activity against various human and phytophathogenic fungi.
Last Modified7 November 2013
DownloadsMolfile
FormulaC15H18O2
Net Charge0
Average Mass230.307
Monoisotopic Mass230.13068
SMILES[H][C@@]12Cc3c(C)coc3C(=O)[C@@]1(C)CCC=C2C
InChIInChI=1S/C15H18O2/c1-9-5-4-6-15(3)12(9)7-11-10(2)8-17-13(11)14(15)16/h5,8,12H,4,6-7H2,1-3H3/t12-,15-/m0/s1
InChIKeyPJUXIGJXLKHONL-WFASDCNBSA-N
Species of MetaboliteComponentSourceComments
Chloranthus japonicus (ncbitaxon:13007) whole plant (BTO:0001461) PubMed (18451544)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 2.4.1.16 (chitin synthase) inhibitor  A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of chitin synthase (EC 2.4.1.16).
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
CJ-01 (CHEBI:65638) has role antifungal agent (CHEBI:35718)
CJ-01 (CHEBI:65638) has role EC 2.4.1.16 (chitin synthase) inhibitor (CHEBI:59672)
CJ-01 (CHEBI:65638) has role metabolite (CHEBI:25212)
CJ-01 (CHEBI:65638) is a aromatic ketone (CHEBI:76224)
CJ-01 (CHEBI:65638) is a cyclic ether (CHEBI:37407)
CJ-01 (CHEBI:65638) is a cyclic terpene ketone (CHEBI:36130)
CJ-01 (CHEBI:65638) is a enone (CHEBI:51689)
CJ-01 (CHEBI:65638) is a organic heterotricyclic compound (CHEBI:26979)
CJ-01 (CHEBI:65638) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4aS,8aS)-3,5,8a-trimethyl-4a,7,8,8a-tetrahydronaphtho[2,3-b]furan-9(4H)-one
Citations