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CHEBI:65041 - dihydrochanoclavine-I aldehyde

ChEBI IDCHEBI:65041
ChEBI Namedihydrochanoclavine-I aldehyde
Stars
DefinitionAn ergot alkaloid that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 2-methyl-3-oxopropyl group (the 4R,5R diastereoisomer).
Last Modified25 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC16H20N2O
Net Charge0
Average Mass256.349
Monoisotopic Mass256.15756
SMILESCN[C@@H]1Cc2cnc3cccc(c23)[C@H]1CC(C)C=O
InChIInChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-5,8-10,13,15,17-18H,6-7H2,1-2H3/t10?,13-,15-/m1/s1
InChIKeyFZMIVISXXWRICN-SKNXHYNKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
dihydrochanoclavine-I aldehyde (CHEBI:65041) is a aldehyde (CHEBI:17478)
dihydrochanoclavine-I aldehyde (CHEBI:65041) is a ergot alkaloid (CHEBI:23943)
dihydrochanoclavine-I aldehyde (CHEBI:65041) is a organic heterotricyclic compound (CHEBI:26979)
dihydrochanoclavine-I aldehyde (CHEBI:65041) is conjugate base of dihydrochanoclavine-I aldehyde(1+) (CHEBI:65032)
Incoming Relation(s)
dihydrochanoclavine-I aldehyde(1+) (CHEBI:65032) is conjugate acid of dihydrochanoclavine-I aldehyde (CHEBI:65041)
IUPAC Name 
2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]propanal