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CHEBI:198490 - Paliclavine

ChEBI IDCHEBI:198490
ChEBI NamePaliclavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O
Net Charge0
Average Mass256.349
Monoisotopic Mass256.15756
SMILESC=C(C)[C@H](O)[C@@H]1c2cccc3ncc(c23)C[C@H]1NC
InChIInChI=1S/C16H20N2O/c1-9(2)16(19)15-11-5-4-6-12-14(11)10(8-18-12)7-13(15)17-3/h4-6,8,13,15-19H,1,7H2,2-3H3/t13-,15-,16+/m1/s1
InChIKeyRYJKMWDFKMAASW-BMFZPTHFSA-N
Species of MetaboliteComponentSourceComments
Claviceps paspali (ncbitaxon:40601) - PubMed (4219404)
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)
Paliclavine (CHEBI:198490) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1R)-2-methyl-1-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
Manual XrefsDatabases
149594ChemSpider