(1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

Details

• Internal ID: e6d4270c-7a02-4738-8d11-ef95c7e66e34
• Taxonomy: Alkaloids and derivatives > Lupin alkaloids > Sparteine, lupanine, and related alkaloids
• IUPAC Name: (1S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
• SMILES (Canonical): C1CCN2CC3CC(C2C1)CN4C3CCCC4
• SMILES (Isomeric): C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4C3CCCC4
• InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14+,15?/m0/s1
• InChI Key: SLRCCWJSBJZJBV-RDGKXADDSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆N₂
• Molecular Weight: 234.38 g/mol
• Exact Mass: 234.209598838 g/mol
• Topological Polar Surface Area (TPSA): 6.50 Ų
• XlogP: 2.50

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:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293235	P02545	Prelamin-A/C	316.2 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.88%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.02%	97.09%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	88.35%	94.78%
CHEMBL4235	P28845	11-beta-hydroxysteroid dehydrogenase 1	87.98%	97.98%
CHEMBL1978	P11511	Cytochrome P450 19A1	87.38%	91.76%
CHEMBL3023	Q9NRA0	Sphingosine kinase 2	86.53%	95.61%
CHEMBL238	Q01959	Dopamine transporter	85.86%	95.88%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	85.48%	95.50%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	84.92%	93.04%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	83.38%	98.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.87%	95.89%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.58%	96.09%
CHEMBL264	Q9Y5N1	Histamine H3 receptor	81.53%	91.43%
CHEMBL237	P41145	Kappa opioid receptor	81.53%	98.10%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	80.62%	86.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.42%	89.62%
CHEMBL5203	P33316	dUTP pyrophosphatase	80.22%	99.18%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	80.21%	90.71%

Plants that contains it

• Ammodendron karelinii
• Baptisia australis
• Bolusanthus speciosus
• Dermatophyllum secundiflorum
• Lupinus excubitus
• Maackia amurensis
• Retama raetam
• Sophora pachycarpa
• Spartium junceum
• Thermopsis mongolica
• Ulex densus

Cross-Links

• PubChem: 5320360
• LOTUS: LTS0164750
• wikiData: Q105255559