Pregnanediol
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
(New page: '''Pregnanediol''' Pubchem(3032822) An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is d...) |
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| - | '' | + | <table align='right' border=1> |
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| + | <jmol><jmolApplet> | ||
| + | <size>200</size> | ||
| + | <script>spin on;color atoms amino;</script> | ||
| + | <uploadedFileContents>NPH205.SDF</uploadedFileContents> | ||
| + | <color>black</color> | ||
| + | </jmolApplet> | ||
| + | </jmol> | ||
| + | </td></tr></table> | ||
| + | ==Description== | ||
| + | An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine. | ||
| + | ==General Properties== | ||
| + | |||
| + | <b>*Molecular Weight</b> | ||
| + | |||
| + | 320.51 | ||
| + | |||
| + | <b>*Molecular Formula</b> | ||
| + | |||
| + | C<sub>2</sub><sub>1</sub>H<sub>3</sub><sub>6</sub>O<sub>2</sub> | ||
| + | |||
| + | <b>*IUPAC NAME</b> | ||
| + | |||
| + | (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol | ||
| + | |||
| + | <b>*Canonical Smiles</b> | ||
| + | |||
| + | CCC1CCC2C1(CCC3C2CCC4C3(CCC(C4)(O)O)C)C | ||
| + | |||
| + | <b>*Isomeric Smiles</b> | ||
| + | |||
| + | CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C | ||
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| + | |||
| + | ==PhysioChemical Properties== | ||
| + | |||
| + | <b>*Melting Point</b> | ||
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| + | |||
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| + | <b>*LogP</b> | ||
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| + | |||
| + | |||
| + | <b>*Water Solubility</b> | ||
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| + | ==External Links== | ||
| + | *[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3032822]Pubchem | ||
| + | *[http://www.genome.jp/dbget-bin/www_bget?compound+C05484]KEGG Compound | ||
| + | *[http://www.genome.jp/dbget-bin/www_bget?drug+D00189 ]KEGG Drug | ||
| + | *[http://www.hmdb.ca/metabolites/HMDB04025]Human Metabolome DataBase | ||
| + | |||
| + | |||
| + | [[Categories:Hormones]] | ||
Revision as of 00:00, 15 January 2001
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Contents |
Description
An inactive metabolite of PROGESTERONE by reduction at C5, C3, and C20 position. Pregnanediol has two hydroxyl groups, at 3-alpha and 20-alpha. It is detectable in URINE after OVULATION and is found in great quantities in the pregnancy urine.
General Properties
*Molecular Weight
320.51
*Molecular Formula
C21H36O2
*IUPAC NAME
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
*Canonical Smiles
CCC1CCC2C1(CCC3C2CCC4C3(CCC(C4)(O)O)C)C
*Isomeric Smiles
CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
