digitoxigenin (Q411469)

imported from Wikimedia project

inferred from SMILES

chemical structure

Digitoxigenin.svg
627 × 474; 5 KB

1 reference

German Wikipedia

mass

374.246 dalton

1 reference

Digitoxigenin (English)

19 October 2016

2 references

4-(3,14-Dihydroxy-10,13-Dimethyl-Hexadecahydro-Cyclopenta[a]Phenanthren-17-Yl)-5h-Furan-2-One

inferred from InChI

2 references

3beta,14beta-Dihydroxy-5betacard-20(22)-enolid

1 reference

1 reference

1 reference

3-[(3S,5S,8R,9R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

inferred from InChI

1 reference

1 reference

3-[(3S,5S,8S,9R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

inferred from InChI

chemical formula

C₂₃H₃₄O₄

1 reference

Digitoxigenin (English)

19 October 2016

canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O

1 reference

Digitoxigenin (English)

19 October 2016

isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O

1 reference

Periplogenin from Rhodea japonica

Digitoxigenin (English)

19 October 2016

1 reference

Digitalis obscura

2 references

Cardenolides of Digitalis obscura: The effect of phosphate and manganese on growth and productivity of shoot-tip cultures

Digitalis obscura cardenolides. Effect of macronutrient concentration and N source on growth and productivity of shoot-tip cultures

Digitalis lanata

2 references

The production of secondary metabolites by Digitalis lanata during CO2 enrichment and water stress

[The biosynthesis of the cardenolid- and spirostan glycoside in Digitalis lanata EHRH. Comparison of formation rates. Glycoside and aglycone, 274]

Cryptostegia madagascariensis

1 reference

Cardenolides of Cryptostegia madagascariensis

Streptocaulon juventas

2 references

A new cardenolide from the roots of Streptocaulon tomentosum

Constituents of the Vietnamese medicinal plant Streptocaulon juventas and their antiproliferative activity against the human HT-1080 fibrosarcoma cell line

Mandevilla pentlandiana

1 reference

Cardenolide glycosides from the roots of mandevilla pentlandiana

Beaumontia grandiflora

1 reference

Chemical constituents of Duabanga grandiflora (Lythraceae)

Digitalis ciliata

1 reference

Cardiac glycosides from the seeds ofDigitalis ciliata

Erysimum leptophyllum

2 references

Cardiac glycosides ofErysimum leptophyllum

Cardiac glycosides ofErysimum leptophyllum

Erysimum cheiri

1 reference

Cardenolides of Erysimum suffruticosum

Euonymus europaeus

1 reference

Evonogenin

Strophanthus divaricatus

1 reference

Biotransformation of digitoxigenin by cell suspension cultures of Strophanthus divaricatus

Asclepias curassavica

1 reference

Cytotoxic principles from the formosan milkweed, Asclepias curassavica

Digitalis purpurea

1 reference

Cardenolides content in wild Sardinian Digitalis purpurea L. populations

Digitalis grandiflora

1 reference

Die Glykoside der Blätter von Digitalis grandifloraMill. (= Digitalis ambiguaMurr.) Glykoside und Aglykone, 176. Mitteilung

Elaeodendron croceum

1 reference

A cardiac glucoside with in vitro anti-HIV activity isolated from Elaeodendron croceum

Nerium oleander

1 reference

Bioactive cardenolides from the stems and twigs of Nerium oleander.

Erysimum marshallii

1 reference

Cheiranthus allioni — A unique cardenolide-bearing plant

Commons category

Digitoxigenin

0 references

Identifiers

InChI

InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1

1 reference

Digitoxigenin (English)

19 October 2016

2 references

Digitoxigenin (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

143-62-4

2 references

Global Substance Registration System

digitoxigenin (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=143-62-4

10 April 2021

1 reference

Digitoxigenin (English)

19 October 2016

2 references

Digitoxigenin (English)

19 October 2016

Reaxys registry number

95448

1 reference

digitoxigenin (English)

19 October 2016

ChEBI ID

42219

mapping relation type

3 references

digitoxigenin (English)

19 October 2016

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1

1 reference

DIGITOXIGENIN (English)

19 October 2016

2 references

splash10-0a59-2941000000-3faff0ef96c1702ba849

1 reference

MassBank accession ID

MSBNK-Waters-WA002511

0 references

MSBNK-Waters-WA002512

0 references

MSBNK-Waters-WA002513

0 references

MSBNK-Waters-WA002514

0 references

MSBNK-Waters-WA002515

0 references

SPLASH

0 references

RTECS number

FH4975000

1 reference

imported from Wikimedia project

0 references

2 references

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

DSSTOX compound identifier

0 references

0 references

205-603-4

1 reference

Global Substance Registration System

digitoxigenin (English)

ECHA Substance Infocard ID

19 October 2016

100.005.095

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.005.095

27 December 2018

D04.210.500.155.580.130.625.350

3-β,14-dihydroxy-5-β,14-β-card-20(22)-enolide (English)

quotation

CAS no.: 143-62-4 (English)

MeSH descriptor ID

D004073

subject named as

Digitoxigenin

0 references

MeSH tree code

0 references

DrugBank ID

DB04177

1 reference

KNApSAcK ID

C00058457

2 references

2 references

Global Substance Registration System

digitoxigenin (English)

19 October 2016

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

0 references

1 reference

30 June 2018

0 references

1 reference

6 April 2020

Encyclopædia Britannica Online ID

science/digitoxigenin

subject named as

digitoxigenin

0 references

Encyclopedia of China (Third Edition) ID

0 references

1 reference

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

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

1 reference

1LNM (English)