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CHEBI:66127 - juglanin B

ChEBI IDCHEBI:66127
ChEBI Namejuglanin B
Stars
DefinitionA 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.
Last Modified15 March 2013
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILESCOc1cc2cc(c1O)-c1cc(ccc1O)CC[C@@H](O)CCCC2
InChIInChI=1S/C20H24O4/c1-24-19-12-14-4-2-3-5-15(21)8-6-13-7-9-18(22)16(10-13)17(11-14)20(19)23/h7,9-12,15,21-23H,2-6,8H2,1H3/t15-/m0/s1
InChIKeyAVDQDLSGSIPLPN-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Juglans regia (ncbitaxon:51240) pericarp (BTO:0001017) PubMed (18496782)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
juglanin B (CHEBI:66127) has role antineoplastic agent (CHEBI:35610)
juglanin B (CHEBI:66127) has role metabolite (CHEBI:25212)
juglanin B (CHEBI:66127) is a methoxybenzenes (CHEBI:51683)
juglanin B (CHEBI:66127) is a organic molecular entity (CHEBI:50860)
juglanin B (CHEBI:66127) is a phenols (CHEBI:33853)
juglanin B (CHEBI:66127) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(9S)-16-methoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol
Manual XrefsDatabases
CN101637501Patent
Citations