Feedback

4,21-dehydrogeissoschizine

Properties

Image

Occurences in reactions

MNX_ID

MNXM2080

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₂₁H₂₃N₂O₃

charge

mass

351.419

reference

chebi:17294

InChIKey

CUHFIPBCFIPFJM-JXSBNBLESA-O

InChI

InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1

SMILES

COC(=O)C(=C/O)\[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N+]2=C\C1=C\C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17294 chebi:17294	4,21-dehydrogeissoschizine 4,21-Dehydrogeissoschizine methyl (19E)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oate methyl (19E)-16-(hydroxymethylidene)coryna-4(21),19-dien-4-ium-17-oate
kegg.compound:C03677 keggC:C03677	4,21-Dehydrogeissoschizine
seed.compound:cpd02308 seedM:cpd02308	4,21-Dehydrogeissoschizine 4,21-dehydrogeissoschizine
metacyc.compound:421-DEHYDROGEISSOSCHIZINE metacycM:421-DEHYDROGEISSOSCHIZINE	4,21-dehydrogeissoschizine
chebi:11918 chebi:1738 chebi:20259 chebi:58094 keggC:M_C03677 seedM:M_cpd02308	secondary/obsolete/fantasy identifier