| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:38:38 UTC |
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| Update Date | 2020-04-22 15:05:58 UTC |
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| BMDB ID | BMDB0000920 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 11a-Hydroxyprogesterone |
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| Description | 11a-Hydroxyprogesterone belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. Based on a literature review a small amount of articles have been published on 11a-Hydroxyprogesterone. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 11-Hydroxyprogesterone | HMDB | | 11a-Hydroxy-pregn-4-ene-3,20-dione | HMDB | | 11a-Hydroxy-progesterone | HMDB | | 11a-Hydroxypregn-4-ene-3,20-dione | HMDB | | 4-Pregnene-11a-ol-3,20-dione | HMDB | | Pregn-4-en-11a-ol-3,20-dione | HMDB | | 11Α-hydroxyprogesterone | HMDB | | 11a-Hydroxyprogesterone | Generator |
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| Chemical Formula | C21H30O3 |
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| Average Molecular Weight | 330.4611 |
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| Monoisotopic Molecular Weight | 330.219494826 |
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| IUPAC Name | (1S,2R,10S,11S,15S,17R)-14-acetyl-17-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
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| Traditional Name | (1S,2R,10S,11S,15S,17R)-14-acetyl-17-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one |
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| CAS Registry Number | 312-90-3 |
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| SMILES | [H][C@@]12CCC(C(C)=O)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |
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| InChI Identifier | InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16?,17-,18+,19+,20-,21+/m0/s1 |
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| InChI Key | BFZHCUBIASXHPK-ODYOLWGQSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety. |
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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 | Pregnane steroids |
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| Direct Parent | Gluco/mineralocorticoids, progestogins and derivatives |
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| Alternative Parents | |
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| Substituents | - Progestogin-skeleton
- 20-oxosteroid
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- 11-hydroxysteroid
- 11-alpha-hydroxysteroid
- Hydroxysteroid
- Oxosteroid
- Delta-4-steroid
- Cyclohexenone
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Cyclic ketone
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organic oxide
- Organooxygen compound
- 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 | 222 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 0.05 mg/mL | Not Available | | LogP | 2.36 | HANSCH,C ET AL. (1995) |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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