Minovincinine

Details

• Internal ID: 640edbe4-09a4-4dc1-af85-ef2012a2e1f7
• Taxonomy: Alkaloids and derivatives > Aspidospermatan-type alkaloids
• IUPAC Name: methyl (1R,12R,19R)-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
• SMILES (Canonical): CC(C12CCCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)O
• SMILES (Isomeric): CC([C@@]12CCCN3[C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)O
• InChI: InChI=1S/C21H26N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-4,6-7,13,19,22,24H,5,8-12H2,1-2H3/t13?,19-,20-,21-/m0/s1
• InChI Key: BKMGDPNQILJWLI-VFZBCNBRSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.40 g/mol
• Exact Mass: 354.19434270 g/mol
• Topological Polar Surface Area (TPSA): 61.80 Ų
• XlogP: 2.30

Synonyms

• C11783

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	98.53%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.76%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.65%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	95.58%	85.14%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	94.99%	93.03%
CHEMBL4208	P20618	Proteasome component C5	94.52%	90.00%
CHEMBL240	Q12809	HERG	92.80%	89.76%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	89.62%	90.71%
CHEMBL221	P23219	Cyclooxygenase-1	89.42%	90.17%
CHEMBL5028	O14672	ADAM10	86.49%	97.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.93%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.81%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	84.92%	97.25%
CHEMBL3524	P56524	Histone deacetylase 4	84.86%	92.97%
CHEMBL2535	P11166	Glucose transporter	84.48%	98.75%
CHEMBL4227	P25090	Lipoxin A4 receptor	83.96%	100.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.18%	91.07%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	82.51%	97.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.09%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.06%	86.33%
CHEMBL2782	P35610	Acyl coenzyme A:cholesterol acyltransferase 1	81.61%	91.65%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.84%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.33%	97.09%

Plants that contains it

• Amsonia elliptica
• Catharanthus roseus
• Catharanthus trichophyllus
• Vinca erecta

Cross-Links

• PubChem: 443401
• LOTUS: LTS0265468
• wikiData: Q15425824