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CHEBI:145950 - nigerone

ChEBI IDCHEBI:145950
ChEBI Namenigerone
Stars
DefinitionA biaryl resulting from the formal oxidative dimerisation of two molecules of 5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one to form a single bond linking position 10 of each moiety (the 10Ra enantiomer).
Last Modified5 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H26O10
Net Charge0
Average Mass570.550
Monoisotopic Mass570.15260
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c4cc(OC)cc(OC)c4c(O)c4c(=O)cc(C)oc34)c2c1
InChIInChI=1S/C32H26O10/c1-13-7-19(33)27-29(35)23-17(9-15(37-3)11-21(23)39-5)25(31(27)41-13)26-18-10-16(38-4)12-22(40-6)24(18)30(36)28-20(34)8-14(2)42-32(26)28/h7-12,35-36H,1-6H3
InChIKeyMBDIPBHBEVOYQB-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
mycotoxin  Poisonous substance produced by fungi.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
nigerone (CHEBI:145950) has role Aspergillus metabolite (CHEBI:76956)
nigerone (CHEBI:145950) has role antifungal agent (CHEBI:35718)
nigerone (CHEBI:145950) has role mycotoxin (CHEBI:25442)
nigerone (CHEBI:145950) is a benzochromenone (CHEBI:64986)
nigerone (CHEBI:145950) is a biaryl (CHEBI:64459)
nigerone (CHEBI:145950) is a phenols (CHEBI:33853)
IUPAC Name 
(10Ra)-5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-4H,4'H-[10,10'-bibenzo[g]chromene]-4,4'-dione
UniProt Name  Source
nigeroneUniProt
Manual XrefsDatabases
HMDB0033496HMDB
FDB011548FooDB
Registry NumbersSources
CAS:76069-41-5ChemIDplus
Citations