12-Hydroxy-11-methoxy-N-acetylnor-C-fluorocurarimine

Details

• Internal ID: 89fe3850-9d77-4df9-9187-c0f049f110b9
• Taxonomy: Alkaloids and derivatives > Strychnos alkaloids
• IUPAC Name: 1-[(1R,11S,12E,17S)-12-ethylidene-6-hydroxy-10-methanimidoyl-5-methoxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraen-8-yl]ethanone
• InChI: InChI=1S/C22H25N3O3/c1-4-13-11-24-8-7-22-16-5-6-17(28-3)20(27)19(16)25(12(2)26)21(22)15(10-23)14(13)9-18(22)24/h4-6,10,14,18,23,27H,7-9,11H2,1-3H3/b13-4-,23-10?/t14-,18-,22+/m0/s1
• InChI Key: SGDWZQZCNVENAB-WBRAZMLRSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₅N₃O₃
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.18959167 g/mol
• Topological Polar Surface Area (TPSA): 76.90 Ų
• XlogP: 1.10

Synonyms

There are no found synonyms.

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	98.94%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.60%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.98%	94.45%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.69%	85.14%
CHEMBL340	P08684	Cytochrome P450 3A4	90.48%	91.19%
CHEMBL4208	P20618	Proteasome component C5	90.42%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.76%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.59%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	84.71%	89.62%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	81.75%	82.38%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.35%	86.33%

Plants that contains it

• Strychnos panganensis

Cross-Links

• PubChem: 163184375
• LOTUS: LTS0073503
• wikiData: Q105252246