MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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noscapine

	Properties	Image
MNX_ID	MNXM41512
reference	chebi:73237
formula	C₂₂H₂₃NO₇
global charge	0
mol weight	413.426
InChIKey	AKNNEGZIBPJZJG-MSOLQXFVSA-N
InChI	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
SMILES	COC1=CC=C2C(=C1OC)C(=O)O[C@@H]2[C@H]1C2=C(OC)C3=C(C=C2CCN1C)OCO3

MNX internals

InChI (mnx)	InChI=1/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
SMILES (mnx)	[CH3:1][N:23]1[CH2:8][CH2:7][C:11]2=[CH:9][C:14]3=[C:20]([C:21]([O:27][CH3:4])=[C:15]2[C@@H:17]1[C@@H:18]1[C:12]2=[C:16]([C:19]([O:26][CH3:3])=[C:13]([O:25][CH3:2])[CH:6]=[CH:5]2)[C:22](=[O:24])[O:30]1)[O:29][CH2:10][O:28]3

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-3296422 reactomeM:R-ALL-3296422 CHEBI:73237 chebi:73237 AKNNEGZIBPJZJG-MSOLQXFVSA-N	noscapine (-)-alpha-narcotine (-)-narcotine (-)-noscapine (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one alpha-Narcotine noscapina noscapinum
hmdb:HMDB0033439 AKNNEGZIBPJZJG-MSOLQXFVSA-N	(-)-alpha-Narcotine (-)-Narcotine (-)-a-Narcotine (-)-alpha-narcotine (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one Capval Capval tropfen Coscopin Embonate, noscapine hydrogen Hydrochloride, noscapine Hydrogen embonate, noscapine L-alpha-Narcotine Librochin prikkelhoest Longatin Lyobex Methoxyhydrastine Narcompren Narcosine Narcotin Narcotine Narcotussin Narkotin Nectadon Nicolane Nipaxon Noscapal Noscapalin Noscapect Noscapin Noscapina Noscapine Noscapine (JP15/usp/inn) Noscapine hydrochloride Noscapine hydrogen embonate Noscapinum Noscopine O-Methylnarcotoline Opian Opianin Opianine Prikkelhoest, librochin Terbenol Tropfen, capval Tuscalman Tusscapine Vadebex a-Narcotine alpha-Narcotine alpha-narcotine noscapine
kegg.drug:D01036 keggD:D01036 AKNNEGZIBPJZJG-MSOLQXFVSA-N	Noscapine (JP18/USP/INN) Noscapine (TN)
seed.compound:cpd06487 seedM:cpd06487 AKNNEGZIBPJZJG-MSOLQXFVSA-N	Noscapine alpha-Narcotine noscapine
kegg.compound:C09592 keggC:C09592 AKNNEGZIBPJZJG-MSOLQXFVSA-N	alpha-Narcotine Noscapine
metacyc.compound:CPD-14834 metacycM:CPD-14834 AKNNEGZIBPJZJG-MSOLQXFVSA-N	noscapine (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]isobenzofuran-1(3H)-one
hmdb:HMDB33439 chebi:10321 keggC:M_C09592 keggD:M_D01036 seedM:M_cpd06487	secondary/obsolete/fantasy identifier