CHEBI:69144 - lumutinine A

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ChEBI Name lumutinine A
ChEBI ID CHEBI:69144
Definition A natural product found in Alstonia macrophylla.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C42H48N4O4
Net Charge 0
Average Mass 672.85490
Monoisotopic Mass 672.36756
InChI InChI=1S/C42H48N4O4/c1-21(47)29-18-48-19-30-24(29)13-37-41-28(16-34(30)43(37)3)26-11-22-12-32-25-14-38-40-27(23-9-7-8-10-33(23)45(40)5)15-35(44(38)4)31(25)20-49-42(32,2)50-39(22)17-36(26)46(41)6/h7-11,17-18,24-25,30-32,34-35,37-38H,12-16,19-20H2,1-6H3/t24-,25+,30+,31+,32-,34-,35-,37-,38-,42-/m0/s1
InChIKey YDYVUBYOCQJUBQ-LMLFJIIXSA-N
SMILES [H][C@]12C[C@@]3([H])C(=COC[C@@]3([H])[C@]([H])(Cc3c1n(C)c1cc4O[C@]5(C)OC[C@@]6([H])[C@]7([H])Cc8c(n(C)c9ccccc89)[C@]([H])(C[C@@]6([H])[C@]5([H])Cc4cc31)N7C)N2C)C(C)=O
Metabolite of Species Details
Alstonia macrophylla (NCBI:txid693366) Found in stem (BTO:0001300). Previous component: stem bark; 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lumutinine A (CHEBI:69144) has role metabolite (CHEBI:25212)
lumutinine A (CHEBI:69144) is a indole alkaloid (CHEBI:38958)
Citation Waiting for Citations Type Source
22148233 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:beta-carbolines(CHEBI:60834); ISA:1-benzopyran(CHEBI:38443); ISA:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:pyrroles(CHEBI:26455); ISA:oxanes(CHEBI:46942); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:piperidines(CHEBI:26151); ISA:tertiary amine(CHEBI:32876); ISA:ketone(CHEBI:17087); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352);