1,2-Dihydrogalanthamine

Details

• Internal ID: 77350e6d-f73d-477a-9e63-1e432ba83ba7
• Taxonomy: Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids
• IUPAC Name: 9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
• SMILES (Canonical): CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O
• SMILES (Isomeric): CN1CCC23CCC(CC2OC4=C(C=CC(=C34)C1)OC)O
• InChI: InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3
• InChI Key: GJRMHIXYLGOZSE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₃NO₃
• Molecular Weight: 289.40 g/mol
• Exact Mass: 289.16779360 g/mol
• Topological Polar Surface Area (TPSA): 41.90 Ų
• XlogP: 2.00

Synonyms

• SCHEMBL13991499
• GJRMHIXYLGOZSE-UHFFFAOYSA-N
• FT-0670886

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
CHEMBL220	P22303	Acetylcholinesterase	610 nM	IC50	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	98.39%	96.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	96.45%	93.99%
CHEMBL5608	Q16288	NT-3 growth factor receptor	93.52%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.37%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.11%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.39%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.31%	97.09%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.79%	89.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.89%	86.33%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	84.56%	91.03%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.23%	97.25%
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	83.76%	95.61%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.28%	92.94%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.83%	100.00%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	80.94%	90.95%

Plants that contains it

• Hymenocallis littoralis
• Hymenocallis rotata
• Lycoris incarnata
• Lycoris radiata
• Lycoris sanguinea
• Lycoris squamigera
• Lycoris traubii
• Pancratium maritimum

Cross-Links

• PubChem: 625595
• LOTUS: LTS0231243
• wikiData: Q105009528