U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36
Molecular Weight 288.5105
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE

SMILES

[H][C@@]12CC[C@H](CC)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])CCCC[C@]34C

InChI

InChIKey=JWMFYGXQPXQEEM-GCOKGBOCSA-N
InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Thymol, a constituent of thyme essential oil, is a positive allosteric modulator of human GABA(A) receptors and a homo-oligomeric GABA receptor from Drosophila melanogaster.
2003 Dec
Changes in 5alpha-pregnane steroids and neurosteroidogenic enzyme expression in fetal sheep with umbilicoplacental embolization.
2003 Dec
Neuroactive steroids: mechanisms of action and neuropsychopharmacological properties.
2003 Feb
Changes in 5alpha-pregnane steroids and neurosteroidogenic enzyme expression in the perinatal sheep.
2003 Jun
The role of progesterone metabolites in breast cancer: potential for new diagnostics and therapeutics.
2005 Feb
Progesterone metabolites in breast cancer.
2006 Sep
3Beta-hydroxysteroids and pregnenolone sulfate inhibit recombinant rat GABA(A) receptor through different channel property.
2007 Feb 28
Antagonism of neurosteroid modulation of native gamma-aminobutyric acid receptors by (3alpha,5alpha)-17-phenylandrost-16-en-3-ol.
2007 Oct 31
Name Type Language
ALLOPREGNANE
MI  
Common Name English
ALLOPREGNANE [MI]
Common Name English
PREGNANE, (5.ALPHA.)-
Systematic Name English
5.ALPHA.-PREGNANE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201031678
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY
PUBCHEM
6857463
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY
CAS
641-85-0
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY
MERCK INDEX
m1528
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
211-378-3
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY
WIKIPEDIA
Allopregnane
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY
FDA UNII
ZTF5KN7S9R
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY
CHEBI
20656
Created by admin on Sat Dec 16 08:10:19 GMT 2023 , Edited by admin on Sat Dec 16 08:10:19 GMT 2023
PRIMARY