CHEBI:70068 - Macrophylline B

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ChEBI Name Macrophylline B
ChEBI ID CHEBI:70068
Definition A natural product found in Uncaria macrophylla.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H32N2O5
Net Charge 0
Average Mass 440.53200
Monoisotopic Mass 440.23112
InChI InChI=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
InChIKey VWNYHBABHBBFQC-KEBVZHCUSA-N
SMILES [H][C@@]1(C[C@]2([H])N(CC[C@@]22C(=O)Nc3ccccc23)[C@@H](CC(C)=O)[C@@H]1CC)C(=C/OC)\C(=O)OC
Metabolite of Species Details
Uncaria macrophylla (NCBI:txid714513) Found in aerial part (BTO:0001658). Chloroform soluble fraction of methanolic extract of dried and powdered aerial parts See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Macrophylline B (CHEBI:70068) has role metabolite (CHEBI:25212)
Macrophylline B (CHEBI:70068) is a indolizines (CHEBI:38485)
Synonym Source
methyl(Z)-2-[(3S,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-enoate ChEBI
Citation Waiting for Citations Type Source
21070010 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:indoles(CHEBI:24828); ISA:citraconoyl group(CHEBI:23315); ISA:aralkylamine(CHEBI:18000); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:piperidines(CHEBI:26151); ISA:ketone(CHEBI:17087); ISA:organic amino compound(CHEBI:50047); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:carboxylic ester(CHEBI:33308); ISA:enoate ester(CHEBI:51702); ISA:carboxamide(CHEBI:37622); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698);