allopregnanolone (Q2482223)

participant

1 reference

Gene Ontology release 2022-07-01

brexanolone biosynthetic process

product

1 reference

Gene Ontology release 2022-07-01

brexanolone catabolic process

reactant

1 reference

Gene Ontology release 2022-07-01

chemical structure

Allopregnanolone.svg
512 × 385; 4 KB

0 references

image of molecular model or crystal lattice model

Allopregnanolone-3D-balls.png
2,000 × 1,331; 464 KB

depicts

ball-and-stick model

0 references

mass

318.255880328 dalton

1 reference

1 reference

sepranolone

2 references

based on heuristic

imported from Wikimedia project

1 reference

C₂₁H₃₄O₂

2 references

O=C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

0 references

isomeric SMILES

CC(=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

0 references

found in taxon

Homo sapiens

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

physically interacts with

Gamma-aminobutyric acid type A receptor subunit delta

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit alpha4

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit theta

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit gamma1

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit beta1

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit alpha3

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit gamma2

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit beta2

1 reference

14 August 2023

Gamma-aminobutyric acid type A receptor subunit beta3

1 reference

14 August 2023

legal status (medicine)

boxed warning

1 reference

https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802

title

FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)

Commons category

Allopregnanolone

0 references

Identifiers

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

0 references

1 reference

ChEBI release 2020-09-01

CAS Registry Number

516-54-1

1 reference

https://commonchemistry.cas.org/detail?cas_rn=516-54-1

9 April 2021

ChemSpider ID

17216124

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

92786

1 reference

Reaxys registry number

3211363

0 references

ChEBI ID

50169

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

ChEMBL ID

CHEMBL38856

1 reference

imported from Wikimedia project

English Wikipedia

CHEMBL207538

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

8 February 2021

2 references

splash10-0a59-2920000000-8a0958b196facc13972c

1 reference

0 references

splash10-0udi-6910000000-837b37f206729753b640

0 references

DSSTox substance ID

DTXSID1046342

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DTXSID901016239

1 reference

DSSTOX compound identifier

DTXCID9026342

0 references

Guide to Pharmacology Ligand ID

4108

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB11859

1 reference

Human Metabolome Database ID

HMDB0001449

2 references

based on heuristic

UNII

S39XZ5QV8Y

1 reference

MedlinePlus drug identifier

a619037

subject named as

brexanolone

0 references

0 references

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

15 January 2022

https://www.swisslipids.org/#/downloads

2 references

6 November 2021