CHEBI:87262 - estra-1(10),4-diene-2,3,17-trione

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ChEBI Name estra-1(10),4-diene-2,3,17-trione ChEBI ID CHEBI:87262 Definition An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 2-hydroxyestrone. 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 C18H20O3 Net Charge 0 Average Mass 284.34960 Monoisotopic Mass 284.14124 InChI InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1 InChIKey WFPLOQDPWXNOST-JPVZDGGYSA-N SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(=O)C=C34)[C@@H]1CCC2=O Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) has functional parent 2-hydroxyestrone (CHEBI:1156) estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) has role human metabolite (CHEBI:77746) estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) is a 17-oxo steroid (CHEBI:19168) estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) is a 3-oxo-Δ4 steroid (CHEBI:47909) estra-1(10),4-diene-2,3,17-trione (CHEBI:87262) is a orthoquinones (CHEBI:25622) IUPAC Name estra-1(10),4-diene-2,3,17-trione Synonyms Sources 2,3-estrogen o-quinone ChemIDplus 2,3-estrone o-quinone ChemIDplus 2,3-estrone ortho-quinone ChemIDplus estrone-2,3-quinone ChemIDplus Manual Xref Database HMDB0012941 HMDB View more database links Registry Numbers Types Sources 40551-33-5 CAS Registry Number ChemIDplus 7538862 Reaxys Registry Number Reaxys Citations Types Sources 12018999 PubMed citation Europe PMC 8738834 PubMed citation Europe PMC 8828920 PubMed citation Europe PMC Last Modified 31 July 2015