tetrahydrogestrinone (Q416940)

Tetrahydrogestrinone (English)

19 October 2016

chemical formula

C₂₁H₂₈O₂

1 reference

Tetrahydrogestrinone (English)

20 November 2016

canonical SMILES

CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O

1 reference

Tetrahydrogestrinone (English)

20 November 2016

isomeric SMILES

CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O

1 reference

InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1

Tetrahydrogestrinone (English)

20 November 2016

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

Tetrahydrogestrinone

0 references

Identifiers

InChI

1 reference

Tetrahydrogestrinone (English)

20 November 2016

1 reference

Global Substance Registration System

Tetrahydrogestrinone (English)

20 November 2016

2 references

UNII

643MR6L9LB

tetrahydrogestrinone (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=618903-56-3

9 April 2021

1 reference

Tetrahydrogestrinone (English)

20 November 2016

1 reference

Tetrahydrogestrinone (English)

20 November 2016

ChEBI ID

190313

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1

1 reference

2 references

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

DSSTOX compound identifier

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

Human Metabolome Database ID

HMDB0004626

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

643MR6L9LB

2 references

stated in

UNII

643MR6L9LB

tetrahydrogestrinone (English)

20 November 2016

0 references

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

inferred by common MeSH mappings on source and on Wikidata

2AMB (English)

19 October 2016

1 reference

stated in

UMLS 2023