CHEBI:70399 - meleagrine

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ChEBI Name meleagrine
ChEBI ID CHEBI:70399
Definition An indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H23N5O4
Net Charge 0
Average Mass 433.45980
Monoisotopic Mass 433.17500
InChI InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m1/s1
InChIKey JTJJJLSLKZFEPJ-WSHSOXHMSA-N
SMILES CON1c2ccccc2[C@]2(C=C(O)C(=O)N3\C(=C\c4c[nH]cn4)C(=O)N[C@]123)C(C)(C)C=C
Metabolite of Species Details
Penicillium oxalicum (NCBI:txid69781) of strain F30 See: PubMed
Roles Classification
Biological Role(s): Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing meleagrine (CHEBI:70399) has functional parent glandicoline B (CHEBI:134347)
meleagrine (CHEBI:70399) has role Penicillium metabolite (CHEBI:76964)
meleagrine (CHEBI:70399) is a enol (CHEBI:33823)
meleagrine (CHEBI:70399) is a imidazoles (CHEBI:24780)
meleagrine (CHEBI:70399) is a indole alkaloid (CHEBI:38958)
meleagrine (CHEBI:70399) is a lactam (CHEBI:24995)
meleagrine (CHEBI:70399) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name
(3E,7aS,12aR)-6-hydroxy-3-(1H-imidazol-4-ylmethylidene)-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
Synonym Source
meleagrin UniProt
Manual Xref Database
Meleagrin Wikipedia
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Registry Numbers Types Sources
5782385 Reaxys Registry Number Reaxys
71751-77-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21053938 PubMed citation Europe PMC
Last Modified
03 April 2017