CHEBI:65034 - 6,8-dimethyl-6,7-didehydroergolin-6-ium

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ChEBI Name 6,8-dimethyl-6,7-didehydroergolin-6-ium
ChEBI ID CHEBI:65034
Definition A cationic ergot alkaloid that is the 6,8-dimethyl-6,7-didehydro derivative of ergoline.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
KAX
Secondary ChEBI IDs CHEBI:65033
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C16H19N2
Net Charge +1
Average Mass 239.33550
Monoisotopic Mass 239.15428
InChI InChI=1S/C16H19N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8-10,13,15,17H,6-7H2,1-2H3/q+1/t10?,13-,15-/m1/s1
InChIKey FGVUDRMBAMEJCE-SKNXHYNKSA-N
SMILES [H][C@]12CC(C)C=[N+](C)[C@]1([H])Cc1c[nH]c3cccc2c13
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6,8-dimethyl-6,7-didehydroergolin-6-ium (CHEBI:65034) has parent hydride ergoline (CHEBI:38484)
6,8-dimethyl-6,7-didehydroergolin-6-ium (CHEBI:65034) is a ergot alkaloid (CHEBI:23943)
6,8-dimethyl-6,7-didehydroergolin-6-ium (CHEBI:65034) is a organic cation (CHEBI:25697)
IUPAC Name
6,8-dimethyl-6,7-didehydroergolin-6-ium
Synonyms Sources
(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-ium ChEBI
6,8-dimethyl-6,7-didehydroergoline UniProt
Registry Number Type Source
20087509 Reaxys Registry Number Reaxys
Citations Types Sources
20526482 PubMed citation SUBMITTER
21898587 PubMed citation SUBMITTER
Last Modified
03 August 2012