Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:18:28 UTC |
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Update Date | 2020-05-21 16:28:51 UTC |
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BMDB ID | BMDB0000015 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Cortexolone |
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Description | Cortexolone, also known as cortodoxone or 11 deoxycortisol, belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Thus, cortexolone is considered to be a steroid lipid molecule. Cortexolone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Cortexolone is a potentially toxic compound. |
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Structure | |
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Synonyms | Value | Source |
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11-Desoxy-17-hydroxycorticosterone | ChEBI | Cortodoxone | ChEBI | Reichstein substance S | HMDB | Substance S, reichstein's | HMDB | 11 Deoxycortisol | HMDB | 11 Desoxycortisol | HMDB | 11 Desoxycortisone | HMDB | S, Reichstein's substance | HMDB | 11-Desoxycortisol | HMDB | 11-Desoxycortisone | HMDB | Reichsteins substance S | HMDB | 11-Deoxycortisol | HMDB | SK&F 3050 | HMDB | Reichstein's substance S | HMDB | 11-Deoxy-17-hydroxycorticosterone | HMDB | 11-Deoxyhydrocortisone | HMDB | 11-Desoxyhydrocortisone | HMDB | 17,21-Dihydroxy-4-pregnene-3,20-dione | HMDB | 17,21-Dihydroxypregn-4-ene-3,20-dione | HMDB | 17,21-Dihydroxyprogesterone | HMDB | 17-Hydroxy-11-deoxycorticosterone | HMDB | 17alpha-Hydroxycortexone | HMDB | 20-Dione 17,21-dihydroxypregn-4-ene-3 | HMDB | 4-Pregnene-17alpha,21-diol-3,20-dione | HMDB | Compound S | HMDB | 11-Deoxy-17-hydrocorticosterone | HMDB | 11-Deoxycortisone | HMDB | 11-Desoxy-17α-hydroxycorticosterone | HMDB | 11-Desoxy-17alpha-hydroxycorticosterone | HMDB | 17,21-Dihydroxypregn-4-en-3,20-dione | HMDB | 17Α,21-dihydroxy-4-pregnen-3,20-dione | HMDB | 17Α,21-dihydroxypregn-4-ene-3,20-dione | HMDB | 17Α,21-dihydroxyprogesterone | HMDB | 17Α-hydroxycortexone | HMDB | 4-Pregnen-17α,21-diol-3,20-dione | HMDB | 4-Pregnene-17α,21-diol-3,20-dione | HMDB | 17alpha,21-Dihydroxy-4-pregnen-3,20-dione | HMDB | 17alpha,21-Dihydroxypregn-4-ene-3,20-dione | HMDB | 17alpha,21-Dihydroxyprogesterone | HMDB | 4-Pregnen-17alpha,21-diol-3,20-dione | HMDB | Cortexolone | MeSH |
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Chemical Formula | C21H30O4 |
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Average Molecular Weight | 346.4605 |
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Monoisotopic Molecular Weight | 346.214409448 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
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InChI Key | WHBHBVVOGNECLV-OBQKJFGGSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. |
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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 | Hydroxysteroids |
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Direct Parent | 21-hydroxysteroids |
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Alternative Parents | |
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Substituents | - 21-hydroxysteroid
- Progestogin-skeleton
- Pregnane-skeleton
- 20-oxosteroid
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- 17-hydroxysteroid
- Oxosteroid
- Delta-4-steroid
- Cyclohexenone
- Alpha-hydroxy ketone
- Tertiary alcohol
- Cyclic alcohol
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organooxygen compound
- Primary alcohol
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organic oxide
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | - glucocorticoid (CHEBI:28324 )
- deoxycortisol (CHEBI:28324 )
- Glucocorticoids (C05488 )
- C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives (C05488 )
- C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives (LMST02030086 )
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Ontology |
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Status | Detected 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
- Endoplasmic reticulum
- Membrane
- Mitochondria
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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 | Not Available |
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Spectra |
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Spectra | |
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