Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:00:22 UTC
Update Date2022-08-12 20:09:26 UTC
Metabolite IDMMDBc0055614
Metabolite Identification
Common Name6,8-dimethyl-6,7-didehydroergoline
Description6,8-dimethyl-6,7-didehydroergoline belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines. 6,8-dimethyl-6,7-didehydroergoline is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on 6,8-dimethyl-6,7-didehydroergoline.
Structure
Synonyms
ValueSource
(2R,7R)-4,6-Dimethyl-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),5,9,12,14-pentaen-6-iumChEBI
Molecular FormulaC16H19N2
Average Mass239.341
Monoisotopic Mass239.15427504
IUPAC Name(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),5,9,12,14-pentaen-6-ium
Traditional Name(2R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),5,9,12,14-pentaen-6-ium
CAS Registry NumberNot Available
SMILES
[H]C1(C)C[C@]2([H])C3=C4C(C[C@@]2([H])[N+](C)=C1)=CNC4=CC=C3
InChI Identifier
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
InChI KeyFGVUDRMBAMEJCE-SKNXHYNKSA-N