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Non-peptide Hormone

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HMRbase accession number1328
PubChem ID92786
Hormone nameAllopregnanolone
DescriptionA pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.
Synonyms3alpha-OH-DHP 3-alpha-OH DHP Allotetrahydroprogesterone Allopregnan-3alpha-ol-20-one 3-alpha,5-alpha-Pregnanolone 5alpha-Pregnan-3alpha-ol-20-one
Molecular weight318.49
Molecular formulaC21H34O2
IUPAC Name1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Canonical smilesCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Isomeric smilesCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
Structure
   
PDB file
SDF file
MOL file
PDB IDN/A
KEGG IDC13712  
HMDB IDHMDB01449
Melting PointN/A
Log PN/A
Water SolubilityN/A
DrugBank IDN/A
Drugpediawiki
ReceptorA3F8U8   Detail in HMRbase   
9GYU4   Detail in HMRbase   
9ARY7   Detail in HMRbase   
6H6R7   Detail in HMRbase   
Q0VEX8   Detail in HMRbase   
Q14AH9   Detail in HMRbase   
53WT3   Detail in HMRbase   
543Z0   Detail in HMRbase   
544F7   Detail in HMRbase   
544G1   Detail in HMRbase   
5SUU4   Detail in HMRbase   
5SUU5   Detail in HMRbase   
8BHM6   Detail in HMRbase   
8C446   Detail in HMRbase   
8C7N0   Detail in HMRbase   
8CAB3   Detail in HMRbase   
9JLE7   Detail in HMRbase   
9JLE8   Detail in HMRbase   
9JLE9   Detail in HMRbase   
Comments!Link to Receptor is not Organism Specific
ReferencesHMDB