Apovincamine

Details

• Internal ID: cfda452d-005d-440d-a061-79ee37d86ce9
• Taxonomy: Alkaloids and derivatives > Eburnan-type alkaloids
• IUPAC Name: methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
• InChI: InChI=1S/C21H24N2O2/c1-3-21-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(18(15)19(21)22)17(13-21)20(24)25-2/h4-5,7-8,13,19H,3,6,9-12H2,1-2H3/t19-,21+/m1/s1
• InChI Key: OZDNDGXASTWERN-CTNGQTDRSA-N
• Popularity: 47 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₄N₂O₂
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.183778013 g/mol
• Topological Polar Surface Area (TPSA): 34.50 Ų
• XlogP: 3.80

Synonyms

• 4880-92-6
• cis-Apovincamine
• Apovincamine [INN]
• Apovincaminum [Latin]
• Apovincamina [Spanish]
• EINECS 225-491-0
• Apovincaminum
• CHEBI:2787
• Methyl (3alpha,16alpha)-eburnamenine-14-carboxylate
• 504R182ZX7
• methyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
• Apovincamina
• (+)-apovincamine
• Eburnamenine-14-carboxylic acid, methyl ester, (3.alpha.,16.alpha.)-
• methyl(3a,16a)-eburnamenine-14-carboxylate
• UNII-504R182ZX7
• Methyl (13aS,13bS)-13a-Ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate (Apovincamine)
• Vinpocetine impurity B
• Methyl (13aS,13bS)-13a-ethyl-2,3,4,6,13a,14b-hexahydro-1H-indilol(3.2.1-de)pyrido(3,2,1-ij)(1,5)naphthylridin-12-carboxylat
• (+)-CIS-APOVINCAMINE
• SCHEMBL194507
• Methyl(3alpha,16alpha)-eburnamenine-14-carboxylate
• CHEMBL1163488
• OZDNDGXASTWERN-CTNGQTDRSA-N
• DTXSID401023598
• Eburnamenine-14-carboxylic acid, methyl ester, (3-alpha,16-alpha)-
• AKOS040744755
• 1ST10857
• HY-135743
• CS-0113909
• VINPOCETINE IMPURITY B [EP IMPURITY]
• C09035
• Q15410269
• (3alpha,16alpha)-Eburnamenine-14-carboxylic Acid Methyl Ester
• METHYL(3.ALPHA.,16.ALPHA.)-EBURNAMENINE-14-CARBOXYLATE

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	98.74%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.47%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.94%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.68%	94.45%
CHEMBL2581	P07339	Cathepsin D	93.20%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.70%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.52%	86.33%
CHEMBL1914	P06276	Butyrylcholinesterase	88.85%	95.00%
CHEMBL5028	O14672	ADAM10	88.56%	97.50%
CHEMBL240	Q12809	HERG	87.96%	89.76%
CHEMBL255	P29275	Adenosine A2b receptor	87.88%	98.59%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.69%	85.14%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	85.75%	92.62%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	84.11%	96.47%
CHEMBL4208	P20618	Proteasome component C5	83.62%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.56%	99.23%
CHEMBL2535	P11166	Glucose transporter	83.55%	98.75%
CHEMBL4227	P25090	Lipoxin A4 receptor	83.47%	100.00%
CHEMBL3430907	Q96GD4	Aurora kinase B/Inner centromere protein	83.30%	97.50%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	82.93%	92.67%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	82.82%	90.95%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.27%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71204
• LOTUS: LTS0060603
• wikiData: Q15410269