RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0053059
RefMet name	Norcodeine
Systematic name	(4R,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Synonyms	PubChem Synonyms
Exact mass	285.136494 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C17H19NO3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	71801 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C17H19NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2-5,10-12,16,18-19H,6-8H2,1H3/t10?,11-,12 ?,16?,17+/m1/s1
InChIKey	HKOIXWVRNLGFOR-YANNOFPNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COc1ccc2C[C@@H]3C4C=CC(C5[C@]4(CCN3)c2c1O5)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tyrosine alkaloids
Sub Class	Morphinan alkaloids
Distribution of Norcodeine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Norcodeine
External Links
Pubchem CID	5359402
ChEBI ID	80579
KEGG ID	C16576
HMDB ID	HMDB0060651
EPA CompTox	DTXCID90197312
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Norcodeine

Rxn ID	KEGG Reaction	Enzyme
R08264	Codeine + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Norcodeine + Formaldehyde + [Oxidized NADPH---hemoprotein reductase] + H2O	Codeine + [Reduced NADPH---hemoprotein reductase] + Oxygen <=> Norcodeine + Formaldehyde + [Oxidized NADPH---hemoprotein reductase] + H2O

Table of KEGG human pathways containing Norcodeine

Pathway ID	Human Pathway	# of reactions
hsa00982	Drug metabolism - cytochrome P450	1