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CHEBI:146001 - aurasperone A(2−)

ChEBI IDCHEBI:146001
ChEBI Nameaurasperone A(2−)
Stars
ASCII Nameaurasperone A(2-)
DefinitionA phenolate anion that is the conjugate base of aurasperone A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5'. It is the major microspecies at pH 7.3.
Last Modified29 July 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H24O10
Net Charge-2
Average Mass568.534
Monoisotopic Mass568.13804
SMILESCOc1cc(OC)c2c([O-])c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c([O-])c4c3OC)c2c1
InChIInChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3/p-2
InChIKeyQAHRSPAZSGMZMT-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
aurasperone A(2−) (CHEBI:146001) is a phenolate anion (CHEBI:50525)
aurasperone A(2−) (CHEBI:146001) is conjugate base of aurasperone A (CHEBI:133760)
Incoming Relation(s)
aurasperone A (CHEBI:133760) is conjugate acid of aurasperone A(2−) (CHEBI:146001)
IUPAC Name 
6,6',8,8'-tetramethoxy-2,2'-dimethyl-4,4'-dioxo-4H,4'H-[7,10'-bibenzo[g]chromene]-5,5'-bis(olate)
Synonyms  Source
6,6',8,8'-tetramethoxy-2,2'-dimethyl-4,4'-dioxo-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-5,5'-bis(olate)IUPAC
aurasperone A dianionChEBI
UniProt Name  Source
aurasperone AUniProt
Citations