CHEBI:87263 - estra-1,5(10)-diene-3,4,17-trione

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ChEBI Name estra-1,5(10)-diene-3,4,17-trione ChEBI ID CHEBI:87263 Definition An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 4-hydroxyestrone. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB8852971, eMolecules:494081, ZINC000000896830 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/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1 InChIKey REMSDZFYMQQJFD-QDTBLXIISA-N SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=O)C4=O)[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-1,5(10)-diene-3,4,17-trione (CHEBI:87263) has role human metabolite (CHEBI:77746) estra-1,5(10)-diene-3,4,17-trione (CHEBI:87263) is a 17-oxo steroid (CHEBI:19168) estra-1,5(10)-diene-3,4,17-trione (CHEBI:87263) is a 3-oxo-Δ1 steroid (CHEBI:20156) estra-1,5(10)-diene-3,4,17-trione (CHEBI:87263) is a orthoquinones (CHEBI:25622) IUPAC Name estra-1,5(10)-diene-3,4,17-trione Synonyms Sources 1,5(10)estradiene-3,14,17-trione ChemIDplus 3,4-estrogen o-quinone ChEBI 3,4-estrone o-quinone ChEBI 3,4-estrone ortho-quinone ChEBI 3,4-estrone quinone ChemIDplus 3,4-estronequinone ChEBI estrone-3,4-quinone ChemIDplus Manual Xref Database HMDB0012942 HMDB View more database links Registry Numbers Types Sources 40551-34-6 CAS Registry Number ChemIDplus 7302284 Reaxys Registry Number Reaxys Citations Types Sources 15032505 PubMed citation Europe PMC 17582759 PubMed citation Europe PMC 18547067 PubMed citation Europe PMC 7841338 PubMed citation Europe PMC 8155821 PubMed citation Europe PMC 8616833 PubMed citation Europe PMC 9343364 PubMed citation Europe PMC 9705753 PubMed citation Europe PMC Last Modified 31 July 2015