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 No supplier information found for this compound.
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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