| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:16:26 UTC |
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| Update Date | 2020-06-04 20:40:06 UTC |
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| BMDB ID | BMDB0000010 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2-Methoxyestrone |
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| Description | 2-Methoxyestrone belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. Thus, 2-methoxyestrone is considered to be a steroid lipid molecule. 2-Methoxyestrone exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. 2-Methoxyestrone exists in all living organisms, ranging from bacteria to humans. 2-Methoxyestrone and S-adenosylhomocysteine can be biosynthesized from S-adenosylmethionine and 2-hydroxyestrone; which is mediated by the enzyme catechol O-methyltransferase. In cattle, 2-methoxyestrone is involved in the metabolic pathway called the estrone metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-(8S,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | HMDB | | 2-Hydroxyestrone 2-methyl ether | HMDB | | 2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol | HMDB | | 2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one | HMDB | | 3-Hydroxy-2-methoxy-estra-1,3,5(10)-trien-17-one | HMDB | | 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one | HMDB | | Methoxy-estrone | HMDB |
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| Chemical Formula | C19H24O3 |
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| Average Molecular Weight | 300.3921 |
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| Monoisotopic Molecular Weight | 300.172544634 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 362-08-3 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C19H24O3/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/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1 |
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| InChI Key | WHEUWNKSCXYKBU-QPWUGHHJSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Steroids and steroid derivatives |
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| Sub Class | Estrane steroids |
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| Direct Parent | Estrogens and derivatives |
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| Alternative Parents | |
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| Substituents | - Estrogen-skeleton
- 3-hydroxysteroid
- Oxosteroid
- 17-oxosteroid
- Hydroxysteroid
- Phenanthrene
- Tetralin
- Anisole
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Benzenoid
- Ketone
- Ether
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 187.0 - 189.5 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | Not Available |
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| Spectra |
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| Spectra | |
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