N-Norcodeine

Details

• Internal ID: f71e97fd-91fa-4720-9013-367740e55774
• Taxonomy: Alkaloids and derivatives > Morphinans
• IUPAC Name: 9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
• SMILES (Canonical): COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1
• SMILES (Isomeric): COC1=C2C3=C(CC4C5C3(CCN4)C(O2)C(C=C5)O)C=C1
• 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
• InChI Key: HKOIXWVRNLGFOR-UHFFFAOYSA-N
• Popularity: 31 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₉NO₃
• Molecular Weight: 285.34 g/mol
• Exact Mass: 285.13649347 g/mol
• Topological Polar Surface Area (TPSA): 50.70 Ų
• XlogP: 0.70

Synonyms

• Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-, (5.alpha.,6.alpha.)-
• SCHEMBL120271
• DTXSID80859376
• HKOIXWVRNLGFOR-UHFFFAOYSA-N
• 3-methoxy-7,8-didehydro-4,5-epoxymorphinan-6-ol
• 7,8-Didehydro-4,5-.alpha.-epoxy-3-methoxymorphinan-6-.alpha.-ol
• Morphinan-6.alpha.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-
• (5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-3-methoxymorphinan-6-ol

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293224	P10636	Microtubule-associated protein tau	79.4 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.69%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.57%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.66%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.42%	91.11%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.48%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.22%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.32%	86.33%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.56%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.93%	95.56%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.90%	97.14%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	81.87%	96.39%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	81.00%	89.05%
CHEMBL2535	P11166	Glucose transporter	80.78%	98.75%

Plants that contains it

• Papaver somniferum

Cross-Links

• PubChem: 1255
• LOTUS: LTS0063807
• wikiData: Q105029829