CHEBI:66127 - juglanin B

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ChEBI Name juglanin B
ChEBI ID CHEBI:66127
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
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Formula C20H24O4
Net Charge 0
Average Mass 328.40220
Monoisotopic Mass 328.16746
InChI InChI=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
InChIKey AVDQDLSGSIPLPN-HNNXBMFYSA-N
SMILES COc1cc2CCCC[C@H](O)CCc3ccc(O)c(c3)-c(c2)c1O
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
CN101637501 Patent
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Citations Waiting for Citations Types Sources
18496782 PubMed citation Europe PMC
19606417 PubMed citation Europe PMC
Last Modified
15 March 2013