CHEBI:28955 - 2-methoxy-17β-estradiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methoxy-17β-estradiol
ChEBI ID CHEBI:28955
ChEBI ASCII Name 2-methoxy-17beta-estradiol
Definition A 17β-hydroxy steroid, being 17β-estradiol methoxylated at C-2.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42274, CHEBI:19675, CHEBI:1187
Supplier Information ZINC000087527999
Download Molfile XML SDF
Formula C19H26O3
Net Charge 0
Average Mass 302.40794
Monoisotopic Mass 302.18819
InChI InChI=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
InChIKey CQOQDQWUFQDJMK-SSTWWWIQSA-N
SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)c(OC)cc21
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
antimitotic
Any compound that inhibits cell division (mitosis).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): 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.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER PDBeChem
2-Hydroxyestradol 2-methyl ether ChemIDplus
2-methoxy-17β-estradiol UniProt
2-methoxyestradiol ChEBI
2-Methoxyestradiol-17beta KEGG COMPOUND
Panzem ChemIDplus
Manual Xrefs Databases
C05302 KEGG COMPOUND
CA2499254 Patent
CN1672746 Patent
JP2005270658 Patent
LMST02010035 LIPID MAPS
US2009104246 Patent
View more database links
Registry Numbers Types Sources
3147966 Reaxys Registry Number Reaxys
362-07-2 CAS Registry Number KEGG COMPOUND
362-07-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
05 May 2017