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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