Vinburnine

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

Top

Internal ID	f6bf0d95-7f61-4384-8343-b010db941d95
Taxonomy	Alkaloids and derivatives > Eburnan-type alkaloids
IUPAC Name	(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one
SMILES (Canonical)	CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2
SMILES (Isomeric)	CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2
InChI	InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
InChI Key	WYJAPUKIYAZSEM-MOPGFXCFSA-N
Popularity	96 references in papers

Physical and Chemical Properties

Top

Molecular Formula	C₁₉H₂₂N₂O
Molecular Weight	294.40 g/mol
Exact Mass	294.173213330 g/mol
Topological Polar Surface Area (TPSA)	25.20 Å²
XlogP	3.00

Synonyms

Top

(-)-Eburnamonine

4880-88-0

Vincamone

eburnamonine

l-Eburnamonine

Eburnal

Eburnamonine (-)

Vinburnine [INN]

Vincanorine

DL-Eburnamonine

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL253	P34972	Cannabinoid CB2 receptor	98.55%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.65%	95.56%
CHEMBL2581	P07339	Cathepsin D	95.21%	98.95%
CHEMBL1914	P06276	Butyrylcholinesterase	92.36%	95.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.16%	96.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	90.42%	93.99%
CHEMBL255	P29275	Adenosine A2b receptor	89.67%	98.59%
CHEMBL5103	Q969S8	Histone deacetylase 10	89.56%	90.08%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.05%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.97%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.88%	99.23%
CHEMBL230	P35354	Cyclooxygenase-2	84.32%	89.63%
CHEMBL3155	P34969	Serotonin 7 (5-HT7) receptor	84.13%	90.71%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.10%	93.40%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.80%	97.09%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	80.69%	95.83%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.37%	89.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.33%	85.14%

Plants that contains it

Top

Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.

Aspidosperma quebracho-blanco

Kopsia pauciflora

Rauvolfia serpentina

Viburnum rhytidophyllum

Vinca minor