Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:51:49 UTC
Update Date2022-08-31 06:32:17 UTC
Metabolite IDMMDBc0010781
Metabolite Identification
Common NameMeleagrine
Descriptionmeleagrine belongs to the class of organic compounds known as pyridoindolones. These are pyridoindoles with a structure that contains an indole moiety bearing a ketone. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. meleagrine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on meleagrine.
Structure
Synonyms
ValueSource
MeleagrinChEBI
Molecular FormulaC23H23N5O4
Average Mass433.468
Monoisotopic Mass433.175004241
IUPAC Name(1R,9S,14E)-11,15-dihydroxy-14-[(1H-imidazol-5-yl)methylidene]-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10,15-pentaen-12-one
Traditional Name(1R,9S,14E)-11,15-dihydroxy-14-(3H-imidazol-4-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0^{1,13}.0^{3,8}]hexadeca-3,5,7,10,15-pentaen-12-one
CAS Registry NumberNot Available
SMILES
[H]\C(C1=CN=CN1)=C1/N2C(=O)C(O)=C[C@@]3(C4=CC=CC=C4N(OC)[C@]23N=C1O)C(C)(C)C=C
InChI Identifier
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
InChI KeyJTJJJLSLKZFEPJ-WSHSOXHMSA-N