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ergocornine

CHEBI:CHEBI_4820

Definition

Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.

Chemical Information

Molecular Formula
C31H39N5O5
Molecular Mass
561.67190
Charge
0
SMILES
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34
InChI
InChI=1S/C31H39N5O5/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/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
InChIKey
UJYGDMFEEDNVBF-OGGGUQDZSA-N

Alternative Names

  • 12'-hydroxy-2',5'alpha-bis(1-methylethyl)ergotaman-3',6',18-trione
  • 12'-hydroxy-3',6',18-trioxo-2',5'alpha-di(propan-2-yl)ergotaman
  • Ergocornine

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
LINCS:LSM-2437
core#notation
CHEBI:4820

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
LINCS:LSM-2437
oboInOwl#id
CHEBI:4820
core#notation
CHEBI:4820
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_parent_hydride
http://purl.obolibrary.org/obo/CHEBI_36185
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_34502
owl#someValuesFrom
t255278
owl#annotatedSource
t228266