Oxysophoridine

Details

• Internal ID: 5c6c9955-7756-4b68-856f-1ad5e342aaf7
• Taxonomy: Alkaloids and derivatives > Lupin alkaloids > Matrine alkaloids
• IUPAC Name: 13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
• InChI: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2
• InChI Key: XVPBINOPNYFXID-UHFFFAOYSA-N
• Popularity: 27 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄N₂O₂
• Molecular Weight: 264.36 g/mol
• Exact Mass: 264.183778013 g/mol
• Topological Polar Surface Area (TPSA): 38.40 Ų
• XlogP: 1.00

Synonyms

• Oxysophoridine
• 54809-74-4
• Sophoridine N-oxide
• Matrine 1beta-oxide
• Sophoridine, N-oxide
• SCHEMBL12994027
• XVPBINOPNYFXID-UHFFFAOYSA-N
• NSC142988
• NSC-142988
• FT-0690482
• Dodecahydro-1H,5H,10H-dipyrido[2,1-f:3,2,1-ij][1,6]naphthyridin-10-one 4-oxide #

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	631 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1978	P11511	Cytochrome P450 19A1	88.91%	91.76%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.76%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.90%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.84%	92.94%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	87.31%	94.78%
CHEMBL2581	P07339	Cathepsin D	87.16%	98.95%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	86.76%	93.03%
CHEMBL217	P14416	Dopamine D2 receptor	85.49%	95.62%
CHEMBL1902	P62942	FK506-binding protein 1A	85.37%	97.05%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	84.27%	93.04%
CHEMBL5255	O00206	Toll-like receptor 4	82.76%	92.50%
CHEMBL3038469	P24941	CDK2/Cyclin A	82.68%	91.38%
CHEMBL3384	Q16512	Protein kinase N1	80.82%	80.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.59%	99.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.12%	96.09%

Plants that contains it

• Sophora flavescens

Cross-Links

• PubChem: 285670
• LOTUS: LTS0078336
• wikiData: Q105343049