| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:19:37 UTC |
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| Update Date | 2020-04-22 15:16:40 UTC |
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| BMDB ID | BMDB0006012 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Epimetendiol |
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| Description | Epimetendiol belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Based on a literature review a significant number of articles have been published on Epimetendiol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (3a,5b,17a)-17-Methyl-androst-1-ene-3,17-diol | HMDB | | 17-Epimetendiol | HMDB | | 17b-Methyl-5b-androst-1-ene-3a,17a-diol | HMDB |
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| Chemical Formula | C21H34O2 |
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| Average Molecular Weight | 318.4935 |
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| Monoisotopic Molecular Weight | 318.255880332 |
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| IUPAC Name | (1S,2R,5S,7R,10R,11S,14R,15S)-2,7,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-3-ene-5,14-diol |
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| Traditional Name | (1S,2R,5S,7R,10R,11S,14R,15S)-2,7,14,15-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-3-ene-5,14-diol |
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| CAS Registry Number | 132830-78-5 |
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| SMILES | [H][C@@]12CC[C@@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2(C)C[C@H](O)C=C[C@]12C |
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| InChI Identifier | InChI=1S/C21H34O2/c1-18-9-6-15-16(19(18,2)10-5-14(22)13-18)7-11-20(3)17(15)8-12-21(20,4)23/h5,10,14-17,22-23H,6-9,11-13H2,1-4H3/t14-,15-,16+,17+,18-,19-,20+,21-/m1/s1 |
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| InChI Key | NZDUEHZAWOAARB-BWTDTTKRSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
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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 | Androstane steroids |
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| Direct Parent | Androgens and derivatives |
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| Alternative Parents | |
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| Substituents | - Androgen-skeleton
- 17-hydroxysteroid
- 3-alpha-hydroxysteroid
- Hydroxysteroid
- 3-hydroxysteroid
- 3-hydroxy-delta-1-steroid
- Delta-1-steroid
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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| Molecular Framework | Aliphatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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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 | Not Available | 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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