CHEBI:70071 - Isorhynchophylline

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ChEBI Name Isorhynchophylline
ChEBI ID CHEBI:70071
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 C22H28N2O4
Net Charge 0
Average Mass 384.46870
Monoisotopic Mass 384.20491
InChI InChI=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
InChIKey DAXYUDFNWXHGBE-VKCGGMIFSA-N
SMILES [H][C@@]1(C[C@]2([H])N(CC[C@@]22C(=O)Nc3ccccc23)C[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.
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ChEBI Ontology
Outgoing 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-enoate ChEBI
Manual Xref Database
C16980 KEGG COMPOUND
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Registry Number Type Source
6859-01-4 CAS Registry Number KEGG COMPOUND
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:aralkylamine(CHEBI:18000); ISA:piperidines(CHEBI:26151); ISA:N-alkylpyrrolidine(CHEBI:46775); 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:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);