Eburnamonine, 11-methoxy-

Details

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Internal ID 029550e0-6917-4d90-a237-0f5d410ad023
Taxonomy Alkaloids and derivatives > Eburnan-type alkaloids
IUPAC Name 15-ethyl-4-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one
SMILES (Canonical) CCC12CCCN3C1C4=C(CC3)C5=C(N4C(=O)C2)C=C(C=C5)OC
SMILES (Isomeric) CCC12CCCN3C1C4=C(CC3)C5=C(N4C(=O)C2)C=C(C=C5)OC
InChI InChI=1S/C20H24N2O2/c1-3-20-8-4-9-21-10-7-15-14-6-5-13(24-2)11-16(14)22(17(23)12-20)18(15)19(20)21/h5-6,11,19H,3-4,7-10,12H2,1-2H3
InChI Key QAJSPAOAMMRBED-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H24N2O2
Molecular Weight 324.40 g/mol
Exact Mass 324.183778013 g/mol
Topological Polar Surface Area (TPSA) 34.50 Ų
XlogP 3.00

Synonyms

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QAJSPAOAMMRBED-UHFFFAOYSA-N
11-Methoxy-14,15-dihydroeburnamenin-14-one #

2D Structure

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2D Structure of Eburnamonine, 11-methoxy-

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.35% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 95.96% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.55% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.95% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.89% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.87% 93.99%
CHEMBL2581 P07339 Cathepsin D 92.43% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.92% 97.25%
CHEMBL4208 P20618 Proteasome component C5 91.76% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.16% 86.33%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 90.68% 96.77%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 89.72% 92.62%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.13% 97.09%
CHEMBL255 P29275 Adenosine A2b receptor 88.07% 98.59%
CHEMBL1907 P15144 Aminopeptidase N 87.88% 93.31%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.87% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.38% 95.89%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 83.60% 90.24%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 83.59% 95.53%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 81.98% 82.38%
CHEMBL2535 P11166 Glucose transporter 81.69% 98.75%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 81.47% 90.95%
CHEMBL3820 P35557 Hexokinase type IV 80.57% 91.96%

Plants that contains it

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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.
Vinca minor

Cross-Links

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PubChem 629693
LOTUS LTS0102863
wikiData Q105217473