juglanin A (CHEBI:66126)

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ChEBI Name	juglanin A

ChEBI ID	CHEBI:66126

Definition	A cyclic ketone isolated from the extract of the seed husks of walnuts Juglans regia and has been shown to exhibit cytotoxic activity against human hepatoma cells.

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

Supplier Information

Download	Molfile XML SDF

Formula

C21H24O5

Net Charge

Average Mass

356.41230

Monoisotopic Mass

356.16237

InChI

InChI=1S/C21H24O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,23H,3-7,10H2,1-2H3

InChIKey

WQHLZXQHMPOZGL-UHFFFAOYSA-N

SMILES

COc1ccc2CCC(=O)CCCCc3ccc(Oc1c2)c(OC)c3O

Metabolite of Species	Details
Juglans regia (NCBI:txid51240)	Found in pericarp (BTO:0001017). See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology
Outgoing	juglanin A (CHEBI:66126) has role antineoplastic agent (CHEBI:35610) juglanin A (CHEBI:66126) has role metabolite (CHEBI:25212) juglanin A (CHEBI:66126) has role neuroprotective agent (CHEBI:63726) juglanin A (CHEBI:66126) is a aromatic ether (CHEBI:35618) juglanin A (CHEBI:66126) is a cyclic ketone (CHEBI:3992) juglanin A (CHEBI:66126) is a methoxybenzenes (CHEBI:51683) juglanin A (CHEBI:66126) is a phenols (CHEBI:33853)

IUPAC Name

16-hydroxy-4,17-dimethoxy-2-oxatricyclo[13.2.2.1^3,7]icosa-1(17),3(20),4,6,15,18-hexaen-10-one

Registry Number	Type	Source
18605218	Reaxys Registry Number	Reaxys

Last Modified

15 March 2013