Structure Database (LMSD)

Common Name
Etiocholanedione
Systematic Name
5β-androstane-3,17-dione
Synonyms
  • Etiocholane-3,17-dione
LM ID
LMST02020058
Formula
Exact Mass
Calculate m/z
288.20893
Sum Composition
Status
Curated



Classification

Biological Context

Etiocholanedione is a neurosteroid.1 It inhibits glycine-induced chloride currents (IGly) in isolated rat hippocampal pyramidal neurons when used at a concentration of 50 µM. Etiocholanedione (0.1, 0.3, and 0.5 mM) also inhibits glucose exchange transport in isolated human erythrocytes.2

This information has been provided by Cayman Chemical

References

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Metabolism of testosterone in previable human fetuses.,
J Clin Endocrinol Metab, 1975
Pubmed ID: 1133155

String Representations

InChiKey (Click to copy)
RAJWOBJTTGJROA-QJISAEMRSA-N
InChi (Click to copy)
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O)=O

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 300.12
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.17
Molar Refractivity 81.74

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Created at
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Updated at
17th Apr 2025