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CHEBI:7602 - nobiletin

ChEBI IDCHEBI:7602
ChEBI Namenobiletin
Stars
DefinitionA methoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 8, 3' and 4' respectively.
Last Modified24 February 2016
DownloadsMolfile
FormulaC21H22O8
Net Charge0
Average Mass402.399
Monoisotopic Mass402.13147
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
InChIInChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
InChIKeyMRIAQLRQZPPODS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nobiletin (CHEBI:7602) has functional parent flavone (CHEBI:42491)
nobiletin (CHEBI:7602) has role antineoplastic agent (CHEBI:35610)
nobiletin (CHEBI:7602) has role plant metabolite (CHEBI:76924)
nobiletin (CHEBI:7602) is a methoxyflavone (CHEBI:25241)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Synonyms  Source
HexamethoxyflavoneKEGG COMPOUND
5,6,7,8,3',4'-HexamethoxyflavoneKEGG COMPOUND
Manual XrefsDatabases
C10112KEGG COMPOUND
C00001076KNApSAcK
LMPK12111468LIPID MAPS
HMDB0029540HMDB
NobiletinWikipedia
LSM-2130LINCS
Registry NumbersSources
Reaxys:360887Reaxys
CAS:478-01-3KEGG COMPOUND
CAS:478-01-3ChemIDplus
CAS:478-01-3NIST Chemistry WebBook
Citations