dihydroergocornine (Q5276426)

Dihydroergocornine (English)

18 November 2016

chemical formula

C₃₁H₄₁N₅O₅

1 reference

Dihydroergocornine (English)

18 November 2016

canonical SMILES

CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O

1 reference

Dihydroergocornine (English)

18 November 2016

isomeric SMILES

CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O

1 reference

Dihydroergocornine (English)

18 November 2016

1 reference

Medical Subject Headings

MeSH descriptor ID

D025441

InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24 ,26 ,30-,31 /m1/s1

15 March 2018

Identifiers

InChI

1 reference

Dihydroergocornine (English)

18 November 2016

2 references

Dihydroergocornine (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

25447-65-8

2 references

dihydroergocornine (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=25447-65-8

9 April 2021

1 reference

Dihydroergocornine (English)

18 November 2016

2 references

Dihydroergocornine (English)

18 November 2016

Reaxys registry number

102148

1 reference

dihydroergocornine (English)

6 October 2016

ChEBI ID

59909

mapping relation type

2 references

CHEMBL2365712 (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24 ,26 ,30-,31 /m1/s1

1 reference

CHEMBL2365712 (English)

18 November 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

dihydroergocornine (English)

ECHA Substance Infocard ID

18 November 2016

100.042.705

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.042.705

27 December 2018

Dihydroergocornine (English)

quotation

CAS no.: 25447-65-8 (English)

MeSH descriptor ID

D025441

subject named as

Dihydroergocornine

0 references

0 references

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1 reference

dihydroergocornine (English)

18 November 2016

DrugBank ID

DB11273

1 reference

2 references

dihydroergocornine (English)

18 November 2016

NDF-RT ID

N0000146191

1 reference

dihydroergocornine (English)

18 November 2016

0 references

1 reference

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Microsoft Academic ID

0 references

1 reference

dihydroergocornine (English)

inferred by common MeSH mappings on source and on Wikidata

18 November 2016

C0887362

1 reference

based on heuristic

UMLS 2023