ergocristine (Q5385810)

Ergocristine (English)

4 October 2016

1 reference

C₃₅H₃₉N₅O₅

1 reference

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

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

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

Ergocristine (English)

4 October 2016

2 references

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

Festuca rubra

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

C100270

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

15 March 2018

Identifiers

InChI

1 reference

Ergocristine (English)

4 October 2016

2 references

Ergocristine (English)

4 October 2016

ChEBI release 2020-09-01

2 references

ergocristine (English)

4 October 2016

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

8 April 2021

1 reference

Ergocristine (English)

4 October 2016

2 references

Ergocristine (English)

4 October 2016

Reaxys registry number

79046

1 reference

ergocristine (English)

4 October 2016

ChEBI ID

4821

mapping relation type

3 references

ergocristine (English)

4 October 2016

ChEBI release 2019-10-02

International Chemical Identifier

InChI

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

ERGOCRISTINE (English)

4 October 2016

2 references

inferred from InChIKey

MSBNK-Washington_State_Univ-BML81190

1 reference

MassBank accession ID

0 references

0 references

0 references

0 references

0 references

0 references

MSBNK-Washington_State_Univ-BML81191

0 references

MSBNK-Washington_State_Univ-BML81192

0 references

MSBNK-Washington_State_Univ-BML81193

0 references

SPLASH

splash10-0006-0032090000-81fc1d549dda9df3d2bb

0 references

HSDB ID

8380

1 reference

Hazardous Substances Data Bank

28 October 2019

Ergocristine (English)

10 May 2021

DSSTox substance ID

DTXSID40891858

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

UNII

3E58HO2T0U

ERGOCRISTINE (English)

ECHA Substance Infocard ID

4 October 2016

100.007.383

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.383

27 December 2018

Ergocristine (English)

quotation

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

MeSH descriptor ID

C100270

1 reference

Medical Subject Headings

14 March 2018

1 reference

Global Substance Registration System

ergocristine (English)

4 October 2016

2 references

UNII

3E58HO2T0U

ERGOCRISTINE (English)

4 October 2016

1 reference

ergocristine (English)