CHEBI:136975 - 4-methoxy-17β-estradiol

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ChEBI Name 4-methoxy-17β-estradiol
ChEBI ID CHEBI:136975
ChEBI ASCII Name 4-methoxy-17beta-estradiol
Definition A 17β-hydroxy steroid that is 17β-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group.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
Supplier Information ZINC000005764434
Download Molfile XML SDF
Formula C19H26O3
Net Charge 0
Average Mass 302.409
Monoisotopic Mass 302.18819
InChI InChI=1S/C19H26O3/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/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
InChIKey BCWZIZLVBYHFES-PYEWSWHRSA-N
SMILES C=1C=2[C@]3(CC[C@]4([C@]([C@@]3(CCC2C(=C(C1)O)OC)[H])(CC[C@@H]4O)[H])C)[H]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) See: PubMed
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).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-methoxy-17β-estradiol (CHEBI:136975) has functional parent 17β-estradiol (CHEBI:16469)
4-methoxy-17β-estradiol (CHEBI:136975) has role estrogen (CHEBI:50114)
4-methoxy-17β-estradiol (CHEBI:136975) has role human metabolite (CHEBI:77746)
4-methoxy-17β-estradiol (CHEBI:136975) has role rat metabolite (CHEBI:86264)
4-methoxy-17β-estradiol (CHEBI:136975) is a 17β-hydroxy steroid (CHEBI:35343)
4-methoxy-17β-estradiol (CHEBI:136975) is a 3-hydroxy steroid (CHEBI:36834)
4-methoxy-17β-estradiol (CHEBI:136975) is a aromatic ether (CHEBI:35618)
4-methoxy-17β-estradiol (CHEBI:136975) is a phenols (CHEBI:33853)
Incoming 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) has functional parent 4-methoxy-17β-estradiol (CHEBI:136975)
IUPAC Name
4-methoxyestra-1,3,5(10)-triene-3,17β-diol
Synonyms Sources
(17β)-4-methoxyestra-1,3,5(10)-triene-3,17-diol IUPAC
4-MeOE2 HMDB
4-methoxy-17β-estradiol UniProt
4-Methoxy-3,17beta-dihydroxy-1,3,5[10]-estratriene HMDB
4-Methoxyestradiol ChemIDplus
4-Methoxyestradiol-17beta ChemIDplus
Manual Xref Database
HMDB0012782 HMDB
View more database links
Registry Numbers Types Sources
26788-23-8 CAS Registry Number ChemIDplus
5753018 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10403516 PubMed citation Europe PMC
12810639 PubMed citation Europe PMC
14962508 PubMed citation Europe PMC
15472229 PubMed citation SUBMITTER
17397890 PubMed citation Europe PMC
20823587 PubMed citation Europe PMC
21344307 PubMed citation Europe PMC
21561814 PubMed citation Europe PMC
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23319542 PubMed citation Europe PMC
23319543 PubMed citation Europe PMC
23757313 PubMed citation Europe PMC
25433128 PubMed citation Europe PMC
26180245 PubMed citation Europe PMC
26460631 PubMed citation Europe PMC
28219710 PubMed citation Europe PMC
Last Modified
21 July 2017