ergocristine (Q5385810)

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chemical compound

ergocrystine

Language	Label	Description	Also known as
English	ergocristine	chemical compound	ergocrystine

Statements

type of chemical entity

0 references

(4R,7R)-N-[(1S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid

1 reference

based on heuristic

inferred from SMILES

chemical structure

Ergocristine.png
474 × 618; 34 KB

0 references

609.295119±0 dalton

1 reference

language of work or name

Ergocristine (English)

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₉N₅O₅

1 reference

language of work or name

Ergocristine (English)

4 October 2016

canonical SMILES

CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C

1 reference

language of work or name

Ergocristine (English)

4 October 2016

isomeric SMILES

CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C

1 reference

language of work or name

Ergocristine (English)

4 October 2016

Claviceps purpurea

2 references

Isolation of ergovaline, ergoptine, and ergonine, new alkaloids of the peptide type, from ergot sclerotia

Separation of ergot alkaloids and their epimers and determination in sclerotia by capillary electrophoresis

Claviceps grohii

1 reference

Claviceps nigricans and Claviceps grohii: their alkaloids and phylogenetic placement

Calamagrostis stricta

1 reference

Ergosedmine, a new peptide ergot alkaloid (ergopeptine) from the ergot fungus, Claviceps purpurea parasitizing Calamagrostis arundinacea

Calamagrostis arundinacea

1 reference

Ergosedmine, a new peptide ergot alkaloid (ergopeptine) from the ergot fungus, Claviceps purpurea parasitizing Calamagrostis arundinacea

Schedonorus arundinaceus

1 reference

Detection of ergopeptine alkaloids in endophyte-infected, toxic Ky-31 tall fescue by mass spectrometry/mass spectrometry

Festuca arundinacea

1 reference

Detection of ergopeptine alkaloids in endophyte-infected, toxic Ky-31 tall fescue by mass spectrometry/mass spectrometry

1 reference

Detection of ergopeptine alkaloids in endophyte-infected, toxic Ky-31 tall fescue by mass spectrometry/mass spectrometry

Lolium arundinaceum

1 reference

Detection of ergopeptine alkaloids in endophyte-infected, toxic Ky-31 tall fescue by mass spectrometry/mass spectrometry

Scolochloa festucacea

1 reference

Detection of ergopeptine alkaloids in endophyte-infected, toxic Ky-31 tall fescue by mass spectrometry/mass spectrometry

subject has role

peripheral nervous system agent

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1

1 reference

language of work or name

Ergocristine (English)

4 October 2016

HEFIYUQVAZFDEE-MKTPKCENSA-N

2 references

language of work or name

Ergocristine (English)

4 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

ergocristine (English)

4 October 2016

HEFIYUQVAZFDEE-MKTPKCENSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=511-08-0

1 reference

language of work or name

Ergocristine (English)

4 October 2016

2 references

language of work or name

Ergocristine (English)

4 October 2016

matched by identifier from

HEFIYUQVAZFDEE-MKTPKCENSA-N

Reaxys registry number

79046

1 reference

language of work or name

ergocristine (English)

4 October 2016

mapping relation type

3 references

language of work or name

ergocristine (English)

4 October 2016

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1

1 reference

language of work or name

ERGOCRISTINE (English)

4 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HEFIYUQVAZFDEE-MKTPKCENSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-AAFC-AC000352

0 references

MSBNK-AAFC-AC000353

0 references

MSBNK-AAFC-AC000354

0 references

MSBNK-AAFC-AC000355

0 references

MSBNK-AAFC-AC000356

0 references

MSBNK-Washington_State_Univ-BML81190

0 references

MSBNK-Washington_State_Univ-BML81191

0 references

MSBNK-Washington_State_Univ-BML81192

0 references

MSBNK-Washington_State_Univ-BML81193

0 references

splash10-0006-0032090000-81fc1d549dda9df3d2bb

0 references

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

Ergocristine (English)

10 May 2021

DSSTox substance ID

1 reference

matched by identifier from

HEFIYUQVAZFDEE-MKTPKCENSA-N

DSSTOX compound identifier

DTXCID901031279

0 references

0 references

1 reference

Global Substance Registration System

language of work or name

ERGOCRISTINE (English)

4 October 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Ergocristine (English)

CAS no.: 511-08-0 (English)

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

language of work or name

ergocristine (English)

4 October 2016

2 references

Global Substance Registration System

language of work or name

ERGOCRISTINE (English)

4 October 2016

matched by identifier from

HEFIYUQVAZFDEE-MKTPKCENSA-N

1 reference

language of work or name

ergocristine (English)

4 October 2016

0 references

Microsoft Academic ID

0 references

Sitelinks

Wikipedia(4 entries)

enwiki Ergocristine
eowiki Ergokristino
shwiki Ergokristin
srwiki Ergokristin

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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