CHEBI:136972 - 4-methoxyestrone

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ChEBI Name 4-methoxyestrone
Definition A 17-oxo steroid that is estrone in which the hydrogen at position 4 has been replaced by a methoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
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Formula C19H24O3
Net Charge 0
Average Mass 300.393
Monoisotopic Mass 300.17254
InChI InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
SMILES C1[C@]2([C@]3([C@@](C4=C(C(=C(O)C=C4)OC)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): estrogen
A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
Application(s): biomarker
A substance used as an indicator of a biological state.
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ChEBI Ontology
Outgoing 4-methoxyestrone (CHEBI:136972) has functional parent estrone (CHEBI:17263)
4-methoxyestrone (CHEBI:136972) has role biomarker (CHEBI:59163)
4-methoxyestrone (CHEBI:136972) has role estrogen (CHEBI:50114)
4-methoxyestrone (CHEBI:136972) has role genotoxin (CHEBI:50902)
4-methoxyestrone (CHEBI:136972) has role human metabolite (CHEBI:77746)
4-methoxyestrone (CHEBI:136972) is a 17-oxo steroid (CHEBI:19168)
4-methoxyestrone (CHEBI:136972) is a 3-hydroxy steroid (CHEBI:36834)
4-methoxyestrone (CHEBI:136972) is a aromatic ether (CHEBI:35618)
4-methoxyestrone (CHEBI:136972) is a phenols (CHEBI:33853)
Incoming 4-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:137965) has functional parent 4-methoxyestrone (CHEBI:136972)
Synonyms Sources
4-Hydroxyestrone-4-methyl ether ChemIDplus
4-methoxyestrone UniProt
Manual Xrefs Databases
4-Methoxyestrone Wikipedia
HMDB0060088 HMDB
View more database links
Registry Numbers Types Sources
3153470 Reaxys Registry Number Reaxys
58562-33-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15472229 PubMed citation SUBMITTER
21488127 PubMed citation Europe PMC
21561814 PubMed citation Europe PMC
23319542 PubMed citation Europe PMC
26134484 PubMed citation Europe PMC
26908437 PubMed citation Europe PMC
27269377 PubMed citation Europe PMC
28219710 PubMed citation Europe PMC
6288541 PubMed citation Europe PMC
Last Modified
20 July 2017