| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:28:52 UTC |
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| Update Date | 2020-04-22 15:03:02 UTC |
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| BMDB ID | BMDB0000338 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 2-Hydroxyestradiol |
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| Description | 2-Hydroxyestradiol, also known as 2-OH-e2 or ECS, 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-hydroxyestradiol is considered to be a steroid. Based on a literature review a significant number of articles have been published on 2-Hydroxyestradiol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol | ChEBI | | 2-Hydroxyestradiol-17beta | ChEBI | | 2-OH-e2 | ChEBI | | 2-OH-Estradiol | ChEBI | | (17b)-Estra-1,3,5(10)-triene-2,3,17-triol | Generator | | (17Β)-estra-1,3,5(10)-triene-2,3,17-triol | Generator | | 2-Hydroxyestradiol-17b | Generator | | 2-Hydroxyestradiol-17β | Generator | | (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol | HMDB | | (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol | HMDB | | 1,3,5(10)-Estratriene-2,3,17Beta-triol | HMDB | | 17beta-2-Hydroxyestradiol | HMDB | | 2,3,17b-Trihydroxyestra-1,3,5(10)-triene | HMDB | | 2-Hydroxy-17beta-estradiol | HMDB | | 2-Hydroxy-estradiol | 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 | | 2-Hydroxyestradiol-17 alpha | HMDB | | 2-Hydroxyestradiol-17 beta | HMDB | | 2-Hydroxyestradiol, (17alpha)-isomer | HMDB | | 2-Hydroxyestradiol, 4-(14)C-labeled | HMDB |
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| Chemical Formula | C18H24O3 |
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| Average Molecular Weight | 288.3814 |
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| Monoisotopic Molecular Weight | 288.172544634 |
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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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| Traditional 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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| CAS Registry Number | 362-05-0 |
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| 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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| 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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| 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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| Ontology |
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| Status | Expected but not 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 | 190 - 191 °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 | |
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| Spectra |
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| Spectra | |
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