Galanthamine N-Oxide

Details

• Internal ID: 07ef206f-eb53-4758-9f7e-02cd3fb38222
• Taxonomy: Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids
• IUPAC Name: (1S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
• SMILES (Canonical): C[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)[O-]
• SMILES (Isomeric): C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O)[O-]
• InChI: InChI=1S/C17H21NO4/c1-18(20)8-7-17-6-5-12(19)9-14(17)22-16-13(21-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-,18?/m0/s1
• InChI Key: LROQBKNDGTWXET-FVWDGWMTSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₁NO₄
• Molecular Weight: 303.35 g/mol
• Exact Mass: 303.14705815 g/mol
• Topological Polar Surface Area (TPSA): 56.80 Ų
• XlogP: 1.30

Synonyms

• Galantamine N-Oxide
• 134332-50-6
• 199014-26-1
• UNII-S6AF61T5WO
• S6AF61T5WO
• (1S,12S,14R)-9-methoxy-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
• Galanthamine-N-oxide
• SCHEMBL3299153
• DTXSID40173681
• GALANTHAMINE (RS)-N-OXIDE
• LROQBKNDGTWXET-FVWDGWMTSA-N
• GALANTAMINE METABOLITE M10
• AKOS030241457
• GALANTAMINE N-OXIDE [USP IMPURITY]
• Galanthamine 10-Oxide(Galanthamine N-Oxide)
• J-006516
• Q27288725
• (4AS-(4A.ALPHA.,6.BETA.,8AR*))-4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, N-OXIDE
• 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, 11-OXIDE, (4AS,6R,8AS)-
• 6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-OL, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, 11-OXIDE, (4AS-(4A.ALPHA.,6.BETA.,8AR*))-

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.71%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	92.14%	91.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.91%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.43%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.78%	94.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.70%	97.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.18%	93.99%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.14%	95.89%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.52%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.02%	91.11%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	85.61%	94.03%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	85.11%	82.67%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.26%	89.62%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.66%	97.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.40%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.03%	100.00%

Plants that contains it

• Lycoris incarnata
• Lycoris radiata
• Lycoris sanguinea

Cross-Links

• PubChem: 11748698
• LOTUS: LTS0090175
• wikiData: Q27288725