calcipotriene (Q155683)

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chemical compound

Dovonex®
MC903

Language	Label	Description	Also known as
English	calcipotriene	chemical compound	Dovonex® MC903

Statements

type of chemical entity

0 references

1 reference

27 February 2018

0 references

0 references

chemical structure

Calcipotriol.svg
1,452 × 1,367; 3 KB

1 reference

imported from Wikimedia project

German Wikipedia

412.298dalton

1 reference

language of work or name

Calcipotriol(English)

19 October 2016

stereoisomer of

(1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(7Z)-calcipotriol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

24R-calcipotriol

1 reference

based on heuristic

inferred from InChI

(5E)-calcipotriol

1 reference

based on heuristic

inferred from InChI

(5Z,7E,22E)-(1S,3R,20S,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol

1 reference

based on heuristic

inferred from InChI

(5Z,7E,22E)-(1S,3R,20S,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₃

1 reference

language of work or name

Calcipotriol(English)

19 November 2016

canonical SMILES

CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

1 reference

language of work or name

Calcipotriol(English)

19 November 2016

isomeric SMILES

C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C

1 reference

language of work or name

Calcipotriol(English)

19 November 2016

active ingredient in

1 reference

14 February 2018

1 reference

14 February 2018

1 reference

14 February 2018

medical condition treated

1 reference

language of work or name

13 December 2016

29 December 1993

Food and Drug Administration

1 reference

Inxight: Drugs Database

2 November 2018

https://drugs.ncats.io/drug/143NQ3779B

http:// accessdata.fda.gov/drugsatfda_docs/label/2005/020554s006lbl.pdf

physically interacts with

vitamin D receptor

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

pregnancy category

Australian pregnancy category B3

1 reference

imported from Wikimedia project

English Wikipedia

US pregnancy category C

1 reference

imported from Wikimedia project

English Wikipedia

subject has role

0 references

dermatologic drug

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Commons category

Calcipotriol

0 references

Identifiers

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1

1 reference

language of work or name

Calcipotriol(English)

19 November 2016

LWQQLNNNIPYSNX-UROSTWAQSA-N

2 references

language of work or name

Calcipotriol(English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

calcipotriene(English)

19 November 2016

LWQQLNNNIPYSNX-UROSTWAQSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=112965-21-6

1 reference

language of work or name

Calcipotriol(English)

19 November 2016

2 references

language of work or name

Calcipotriol(English)

19 November 2016

matched by identifier from

LWQQLNNNIPYSNX-UROSTWAQSA-N

Reaxys registry number

5309193

1 reference

language of work or name

calcipotriol(English)

19 October 2016

mapping relation type

2 references

language of work or name

CALCIPOTRIENE(English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1

1 reference

language of work or name

CALCIPOTRIENE(English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LWQQLNNNIPYSNX-UROSTWAQSA-N

UniChem compound ID

1 reference

DSSTox substance ID

2 references

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

matched by identifier from

LWQQLNNNIPYSNX-UROSTWAQSA-N

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol(English)

CAS no.: 112965-21-6(English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol(English)

CAS no.: 112965-21-6(English)

1 reference

language of work or name

Calcipotriol(English)

publication date

17 November 2015

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

calcipotriol(English)

19 November 2016

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

language of work or name

calcipotriene(English)

19 November 2016

1 reference

matched by identifier from

LWQQLNNNIPYSNX-UROSTWAQSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

LWQQLNNNIPYSNX-UROSTWAQSA-N

2 references

Global Substance Registration System

language of work or name

calcipotriene(English)

19 November 2016

matched by identifier from

LWQQLNNNIPYSNX-UROSTWAQSA-N

MedlinePlus drug identifier

0 references

1 reference

Global Substance Registration System

language of work or name

calcipotriene(English)

19 November 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

Calcipotriol(English)

19 January 2016

1 reference

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

30 June 2018

IEDB Epitope ID

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

1 March 2022

0 references

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1S19(English)

19 October 2016

1 reference

Global Substance Registration System

language of work or name

calcipotriene(English)

19 November 2016

WikiProjectMed ID

0 references

Sitelinks

Wikipedia(20 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Calcipotriol

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