| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-06-03 11:59:02 UTC |
|---|
| Update Date | 2016-11-09 01:23:05 UTC |
|---|
| Accession Number | CHEM044270 |
|---|
| Identification |
|---|
| Common Name | metenolone |
|---|
| Class | Small Molecule |
|---|
| Description | Not Available |
|---|
| Contaminant Sources | |
|---|
| Contaminant Type | Not Available |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| Xylulose 1,5-bisphosphate | MeSH | | Xylulose 1,5-diphosphate | MeSH |
|
|---|
| Chemical Formula | C20H30O2 |
|---|
| Average Molecular Mass | 302.458 g/mol |
|---|
| Monoisotopic Mass | 302.225 g/mol |
|---|
| CAS Registry Number | 153-00-4 |
|---|
| IUPAC Name | (7S)-14-hydroxy-2,3,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-en-5-one |
|---|
| Traditional Name | (7S)-14-hydroxy-2,3,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-en-5-one |
|---|
| SMILES | [H]C1(O)CCC2([H])C3([H])CC[C@@]4([H])CC(=O)C=C(C)C4(C)C3([H])CCC12C |
|---|
| InChI Identifier | InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15?,16?,17?,18?,19?,20?/m0/s1 |
|---|
| InChI Key | ANJQEDFWRSLVBR-HARDYTLKSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Steroids and steroid derivatives |
|---|
| Sub Class | Androstane steroids |
|---|
| Direct Parent | Androgens and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Androgen-skeleton
- 3-oxo-delta-1-steroid
- 3-oxosteroid
- 3-oxo-5-alpha-steroid
- 17-hydroxysteroid
- Oxosteroid
- Hydroxysteroid
- Delta-1-steroid
- Cyclohexenone
- Cyclic alcohol
- Cyclic ketone
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Aliphatic homopolycyclic compound
|
|---|
| Molecular Framework | Aliphatic homopolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Biological Properties |
|---|
| Status | Detected and Not Quantified |
|---|
| Origin | Not Available |
|---|
| Cellular Locations | Not Available |
|---|
| Biofluid Locations | Not Available |
|---|
| Tissue Locations | Not Available |
|---|
| Pathways | Not Available |
|---|
| Applications | Not Available |
|---|
| Biological Roles | Not Available |
|---|
| Chemical Roles | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Appearance | Not Available |
|---|
| Experimental Properties | | Property | Value |
|---|
| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | | Spectrum Type | Description | Splash Key | View |
|---|
| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0f79-0096000000-8f8aaa2bfb64bfac02ed | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0k9i-0291000000-8cfa2e6654a75833a24d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052r-3890000000-09446aa569bf081fe79b | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0029000000-80be7ca09450b15c807f | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0059000000-b5db68854b32703cd360 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0079-1090000000-7a6c1f6a9f7ed0c02ac8 | Spectrum |
|
|---|
| Toxicity Profile |
|---|
| Route of Exposure | Not Available |
|---|
| Mechanism of Toxicity | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Toxicity Values | Not Available |
|---|
| Lethal Dose | Not Available |
|---|
| Carcinogenicity (IARC Classification) | Not Available |
|---|
| Uses/Sources | Not Available |
|---|
| Minimum Risk Level | Not Available |
|---|
| Health Effects | Not Available |
|---|
| Symptoms | Not Available |
|---|
| Treatment | Not Available |
|---|
| Concentrations |
|---|
| Not Available |
|---|
| External Links |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | Not Available |
|---|
| FooDB ID | Not Available |
|---|
| Phenol Explorer ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| BiGG ID | Not Available |
|---|
| BioCyc ID | Not Available |
|---|
| METLIN ID | Not Available |
|---|
| PDB ID | Not Available |
|---|
| Wikipedia Link | Not Available |
|---|
| Chemspider ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| PubChem Compound ID | 9054 |
|---|
| Kegg Compound ID | Not Available |
|---|
| YMDB ID | Not Available |
|---|
| ECMDB ID | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| MSDS | Not Available |
|---|
| General References | Not Available |
|---|
