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CHEBI:70071 - Isorhynchophylline

ChEBI IDCHEBI:70071
ChEBI NameIsorhynchophylline
Stars
DefinitionA natural product found in Uncaria macrophylla.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28N2O4
Net Charge0
Average Mass384.476
Monoisotopic Mass384.20491
SMILES[H][C@]1(/C(=C\OC)C(=O)OC)C[C@]2([H])N(CC[C@@]23C(=O)Nc2ccccc23)C[C@@H]1CC
InChIInChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1
InChIKeyDAXYUDFNWXHGBE-VKCGGMIFSA-N
Species of MetaboliteComponentSourceComments
Uncaria macrophylla (ncbitaxon:714513) aerial part (BTO:0001658) PubMed (21070010) Chloroform soluble fraction of methanolic extract of dried and powdered aerial parts
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)
Isorhynchophylline (CHEBI:70071) has role metabolite (CHEBI:25212)
Isorhynchophylline (CHEBI:70071) is a indolizines (CHEBI:38485)
Synonym  Source
methyl(E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoateChEBI
Manual XrefsDatabases
C16980KEGG COMPOUND
Registry NumbersSources
CAS:6859-01-4KEGG COMPOUND
Citations