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CHEBI:28955 - 2-methoxy-17β-estradiol

ChEBI IDCHEBI:28955
ChEBI Name2-methoxy-17β-estradiol
Stars
ASCII Name2-methoxy-17beta-estradiol
DefinitionA 17β-hydroxy steroid, being 17β-estradiol methoxylated at C-2.
Secondary ChEBI IDsCHEBI:1187, CHEBI:19675, CHEBI:42274
Last Modified5 May 2017
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCc3cc(O)c(OC)cc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKeyCQOQDQWUFQDJMK-SSTWWWIQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
antimitotic  Any compound that inhibits cell division (mitosis).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis modulating agent  An agent that modulates the physiologic angiogenesis process. This is accomplished by endogenous angiogenic proteins and a variety of other chemicals and pharmaceutical agents.
ChEBI Ontology
Outgoing Relation(s)
2-methoxy-17β-estradiol (CHEBI:28955) has functional parent 17β-estradiol (CHEBI:16469)
2-methoxy-17β-estradiol (CHEBI:28955) has role angiogenesis modulating agent (CHEBI:50926)
2-methoxy-17β-estradiol (CHEBI:28955) has role antimitotic (CHEBI:64911)
2-methoxy-17β-estradiol (CHEBI:28955) has role antineoplastic agent (CHEBI:35610)
2-methoxy-17β-estradiol (CHEBI:28955) has role human metabolite (CHEBI:77746)
2-methoxy-17β-estradiol (CHEBI:28955) has role metabolite (CHEBI:25212)
2-methoxy-17β-estradiol (CHEBI:28955) has role mouse metabolite (CHEBI:75771)
2-methoxy-17β-estradiol (CHEBI:28955) is a 17β-hydroxy steroid (CHEBI:35343)
2-methoxy-17β-estradiol (CHEBI:28955) is a 3-hydroxy steroid (CHEBI:36834)
Incoming Relation(s)
2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) has functional parent 2-methoxy-17β-estradiol (CHEBI:28955)
IUPAC Name 
2-methoxyestra-1,3,5(10)-triene-3,17β-diol
Synonyms  Source
2-Methoxyestradiol-17betaKEGG COMPOUND
2-Hydroxyestradol 2-methyl etherChemIDplus
PanzemChemIDplus
1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHERPDBeChem
2-methoxyestradiolChEBI
UniProt Name  Source
2-methoxy-17β-estradiolUniProt
Manual XrefsDatabases
C05302KEGG COMPOUND
LMST02010035LIPID MAPS
US2009104246Patent
CN1672746Patent
JP2005270658Patent
CA2499254Patent
Registry NumbersSources
Reaxys:3147966Reaxys
CAS:362-07-2KEGG COMPOUND
CAS:362-07-2ChemIDplus
Citations