| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:31:36 UTC |
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| Update Date | 2020-05-11 20:55:01 UTC |
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| BMDB ID | BMDB0000495 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Androstanediol |
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| Description | Androstanediol 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 Androstanediol. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Androstane-3,17-diol | Kegg | | 3-a-Androstanediol | HMDB | | 3-alpha-Androstanediol | HMDB | | 3alpha-Androstanediol | HMDB | | 5 a-Androstane-3 a, 17 b-diol | HMDB | | 5 alpha-Androstane-3 alpha, 17 beta-diol | HMDB | | 5-a-Androstane-3-a, 17-b-diol | HMDB | | 5-alpha-Androstan-3-alpha,17-beta-diol | HMDB | | 5-alpha-Androstane-3-a, 17-beta-diol | HMDB | | 5-alpha-Androstane-3-alpha-17-beta-diol | HMDB | | 5 Androstane 3,17 diol | MeSH, HMDB | | 5 alpha Androstane 3 alpha,17 beta diol | MeSH, HMDB | | 5 alpha Androstane 3 beta,17 alpha diol | MeSH, HMDB | | 5 alpha Androstane 3 beta,17 beta diol | MeSH, HMDB | | 5 alpha Androstane 3alpha,17 beta diol | MeSH, HMDB | | 5 alpha-Androstane-3 alpha,17 beta-diol | MeSH, HMDB | | 5 alpha-Androstane-3 beta,17 alpha-diol | MeSH, HMDB | | 5 alpha-Androstane-3 beta,17 beta-diol | MeSH, HMDB | | 5 alpha-Androstane-3alpha,17 beta-diol | MeSH, HMDB | | 5 beta Androstane 3 alpha,17 beta diol | MeSH, HMDB | | 5 beta-Androstane-3 alpha,17 beta-diol | MeSH, HMDB | | 5-Androstane-3,17-diol | MeSH, HMDB | | 5alpha Androstane 3beta,17alpha diol | MeSH, HMDB | | 5alpha-Androstane-3beta,17alpha-diol | MeSH, HMDB | | Androstane 3,17 diol | MeSH, HMDB |
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| Chemical Formula | C19H32O2 |
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| Average Molecular Weight | 292.4562 |
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| Monoisotopic Molecular Weight | 292.240230268 |
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| IUPAC Name | (1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol |
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| Traditional Name | (1S,2S,5R,7S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,14-diol |
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| CAS Registry Number | 25126-76-5 |
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| SMILES | [H][C@@]12CCC(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17?,18-,19-/m0/s1 |
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| InChI Key | CBMYJHIOYJEBSB-UNPXRYTGSA-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
- 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 | - C19 steroids (androgens) and derivatives (C07632 )
- Androstane and derivatives (C07632 )
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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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