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CHEBI:70067 - Macrophylline A

ChEBI IDCHEBI:70067
ChEBI NameMacrophylline A
Stars
DefinitionA natural product found in Uncaria macrophylla.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H32N2O5
Net Charge0
Average Mass440.540
Monoisotopic Mass440.23112
SMILES[H][C@]1(/C(=C\OC)C(=O)OC)C[C@]2([H])N(CC[C@]23C(=O)Nc2ccccc23)[C@@H](CC(C)=O)[C@@H]1CC
InChIInChI=1S/C25H32N2O5/c1-5-16-17(18(14-31-3)23(29)32-4)13-22-25(10-11-27(22)21(16)12-15(2)28)19-8-6-7-9-20(19)26-24(25)30/h6-9,14,16-17,21-22H,5,10-13H2,1-4H3,(H,26,30)/b18-14+/t16-,17+,21+,22+,25-/m1/s1
InChIKeyVWNYHBABHBBFQC-QFEVCRBPSA-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)
Macrophylline A (CHEBI:70067) has role metabolite (CHEBI:25212)
Macrophylline A (CHEBI:70067) is a indolizines (CHEBI:38485)
Synonym  Source
methyl(Z)-2-[(3R,5'S,6'R,7'S,8'aS)-6'-ethyl-2-oxo-5'-(2-oxopropyl)spiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoateChEBI
Citations