Record Information |
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Version | 1.0 |
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Creation date | 2015-10-09 22:30:49 UTC |
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Update date | 2017-01-19 02:36:25 UTC |
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FoodComEx ID | PC000465 |
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FoodDB Record | FDB021962 |
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Chemical Information |
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Name | 2-Hydroxyestradiol |
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Description | 2-Hydroxyestradiol is generated from estradiol by a Cytochrome P450. 2-Hydroxyestradiol binds, with a low affinity, to estrogen receptors. It inhbits catechol-O-methyltransferase (COMT) activity. Inactivity of COMT blocks inactivation of catechol hormones and catecholamine neutransmitters. 2-Hydroxyestradiol is also reported to inhibit angiongensis and tumor cell growth (PMID: 9472688). [HMDB] |
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CAS Number | 362-05-0 |
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Structure | |
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Synonyms | Synonym | Source |
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(17b)-Estra-1,3, 5(10)-triene-2,3,17-triol | hmdb | (17b)-Estra-1,3,5(10)-triene-2,3,17-triol | Generator | (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol | hmdb | (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol | hmdb | (17β)-estra-1,3,5(10)-triene-2,3,17-triol | Generator | 1,3,5(10)-estratriene-2,3,17Beta-triol | hmdb | 17beta-2-Hydroxyestradiol | hmdb | 2-hydroxy-17beta-estradiol | hmdb | 2-hydroxy-estradiol | hmdb | 2-Hydroxyestradiol | hmdb | 2-Hydroxyestradiol-17b | Generator | 2-Hydroxyestradiol-17beta | ChEBI | 2-Hydroxyestradiol-17β | Generator | 2-OH-e2 | ChEBI | 2-OH-Estradiol | hmdb | 2,3,17b-Trihydroxyestra-1,3,5(10)-triene | hmdb | ECS | hmdb | Estra-1,3,5 (10)-triene-2,3,17.beta.-triol | hmdb | Estra-1,3,5(10)-triene-2,3,17-beta-triol | hmdb | estra-1,3,5(10)-triene-2,3,17-triol (ACD/Name 4.0) | hmdb | Estra-1,3,5(10)-triene-2,3,17b-triol | hmdb | estra-1,3,5(10)-triene-2,3,17beta-triol | hmdb |
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Chemical Formula | C18H24O3 |
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IUPAC name | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol |
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InChI Identifier | InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 |
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InChI Key | DILDHNKDVHLEQB-XSSYPUMDSA-N |
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Isomeric SMILES | [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3 |
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Average Molecular Weight | 288.3814 |
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Monoisotopic Molecular Weight | 288.172544634 |
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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
- 2-hydroxysteroid
- Hydroxysteroid
- 17-hydroxysteroid
- Phenanthrene
- Tetralin
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Organooxygen compound
- Alcohol
- Hydrocarbon derivative
- Organic oxygen compound
- Aromatic homopolycyclic compound
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Molecular Framework | Aromatic homopolycyclic compounds |
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External Descriptors | |
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Physico-Chemical Properties - Experimental |
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Property | Value | Reference |
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Experimental logP | Not Available | |
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Experimental Water Solubility | Not Available | |
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Melting Point | Not Available | |
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Foods of Origin |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Production Data |
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Production Method | commercial |
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Production Method Reference | Not Available |
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Production Method Reference File | Not Available |
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Quantity Available | Production upon request, up to 5 mg |
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Delivery Time | Not Available |
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Storage Form | solid |
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Storage Conditions | -80°C |
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Stability | Not Available |
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Purity | Not Available |
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Spectra |
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Spectral Data Upon Request | Not Available |
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Provider Information |
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Commercial Vendors |
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AKSci | 1354AH |
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Cayman Chemical | 13019 |
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Toronto Research Chemicals | H941890 |
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