CHEBI:90290 - pacein

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ChEBI Name pacein ChEBI ID CHEBI:90290 Definition A member of the class of benzofurans that is dibenzo[b,d]furan-3,7-dione bearing two methyl substituents at positions 1 and 9 as well as two 2,4-dihydroxy-6-methylanilino substituents at positions 2 and 8. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H24N2O7 Net Charge 0 Average Mass 500.500 Monoisotopic Mass 500.15835 InChI InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3 InChIKey VPEASJIRGSVXBF-UHFFFAOYSA-N SMILES C1(=C(C=C(C=C1C)O)O)NC2=C(C3=C4C(=C(NC5=C(C=C(C=C5C)O)O)C(C=C4OC3=CC2=O)=O)C)C Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing pacein (CHEBI:90290) is a dibenzofurans (CHEBI:38922) pacein (CHEBI:90290) is a polyphenol (CHEBI:26195) pacein (CHEBI:90290) is a quinomethanes (CHEBI:52404) pacein (CHEBI:90290) is a resorcinols (CHEBI:33572) pacein (CHEBI:90290) is a secondary amino compound (CHEBI:50995) IUPAC Name 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzo[b,d]furan-3,7-dione Synonym Source NSC 610930 ChEBI Manual Xrefs Databases CPD-12326 MetaCyc HMDB0039777 HMDB View more database links Registry Numbers Types Sources 1400-62-0 CAS Registry Number ChemIDplus 25240451 Reaxys Registry Number Reaxys Last Modified 10 November 2015