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meleagrin

MNXM106525 is deprecated and here replaced by MNXM1100469
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1100469

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₃H₂₃N₅O₄

charge

mass

433.175

reference

chebi:70399

InChIKey

JTJJJLSLKZFEPJ-WSHSOXHMSA-N

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

SMILES

C=CC(C)(C)[C@]12C=C(O)C(=O)N3/C(=C/c4c[nH]cn4)C(=O)N[C@@]31N(OC)c1ccccc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:70399 chebi:70399	meleagrin (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 meleagrine
kegg.compound:C22168 keggC:C22168	Meleagrin
metacyc.compound:CPD-17391 metacycM:CPD-17391 seed.compound:cpd32082 seedM:cpd32082	meleagrin meleagrine
keggC:M_C22168 seedM:M_cpd32082	secondary/obsolete/fantasy identifier