Compound Summary
Compound Information
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
Compound Name: | 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one |
Compound CID: | 11957655 |
Synonyms: | 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one 3alpha,21-dihydroxy-5alpha-pregnane-20-one Lopac0_000897 SCHEMBL21645690 HMS3262D16 More... |
Iupac Name: | 2-hydroxy-1-[(3R,5S,10S,13S,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 |
InChI: | InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15?,16?,17?,18+,20-,21-/m0/s1 |
InChIKey: | CYKYBWRSLLXBOW-CSFFQSOUSA-N |
Canonical Smiles: | CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O |
Isomeric Smiles: | C[C@]12CC[C@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4C(=O)CO)C)O |
Molecular Weight: | 334.5 |
Molecular Formula: | C21H34O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
Molecular Weight: | 334.5 |
Molecular Formula: | C21H34O3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 24 |
Complexity: | 517 |
Synonyms
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
| 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one | 3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one |
|---|---|
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one |
3alpha,21-dihydroxy-5alpha-pregnane-20-one |
Lopac0_000897 |
SCHEMBL21645690 |
HMS3262D16 |
Tox21_500897 |
LMST02030132 |
CCG-204979 |
LP00897 |
SDCCGSBI-0050872.P002 |
NCGC00094213-01 |
NCGC00094213-02 |
NCGC00094213-03 |
NCGC00094213-04 |
NCGC00261582-01 |
EU-0100897 |
P 2016 |
SR-01000076060 |
SR-01000076060-1 |
Experimental Data
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 2 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
Statistics Data
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 2 | 1 | 1 |
Statistics Data Visualization
3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one
