Dehydrosparteine

Details

• Internal ID: 54097aef-7103-44a8-8c75-21d0341e6024
• Taxonomy: Organoheterocyclic compounds > Quinolizidines
• IUPAC Name: (1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-ene
• SMILES (Canonical): C1CCN2CC3CC(C2C1)CN4C3CCC=C4
• SMILES (Isomeric): C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4[C@@H]3CCC=C4
• InChI: InChI=1S/C15H24N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h3,7,12-15H,1-2,4-6,8-11H2/t12-,13-,14-,15+/m1/s1
• InChI Key: BWKNRAAXVUYXAH-TUVASFSCSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄N₂
• Molecular Weight: 232.36 g/mol
• Exact Mass: 232.193948774 g/mol
• Topological Polar Surface Area (TPSA): 6.50 Ų
• XlogP: 2.70

Synonyms

• Dehydro-sparteine
• BWKNRAAXVUYXAH-TUVASFSCSA-N

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.58%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.25%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.05%	96.09%
CHEMBL4235	P28845	11-beta-hydroxysteroid dehydrogenase 1	88.79%	97.98%
CHEMBL3746	P80365	11-beta-hydroxysteroid dehydrogenase 2	88.49%	94.78%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.87%	91.11%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.72%	89.62%
CHEMBL1978	P11511	Cytochrome P450 19A1	85.97%	91.76%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	84.60%	98.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.25%	95.89%
CHEMBL238	Q01959	Dopamine transporter	83.86%	95.88%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	83.52%	95.50%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	83.43%	91.81%
CHEMBL264	Q9Y5N1	Histamine H3 receptor	83.25%	91.43%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	83.11%	83.57%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	83.03%	90.71%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.93%	93.04%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.17%	94.45%
CHEMBL5805	Q9NR97	Toll-like receptor 8	80.81%	96.25%
CHEMBL230	P35354	Cyclooxygenase-2	80.66%	89.63%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.06%	95.56%

Plants that contains it

• Adenocarpus hispanicus
• Genista acanthoclada
• Genista cinerascens
• Plagiocarpus axillaris
• Retama sphaerocarpa

Cross-Links

• PubChem: 6427218
• LOTUS: LTS0211927
• wikiData: Q104375681