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Epinorlycoramine

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 4a2228a4-7d05-4744-b3df-9e15d16f96f1
Taxonomy Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids
IUPAC Name (1R,12S,14R)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
SMILES (Canonical) COC1=C2C3=C(CNCCC34CCC(CC4O2)O)C=C1
SMILES (Isomeric) COC1=C2C3=C(CNCC[C@]34CC[C@H](C[C@@H]4O2)O)C=C1
InChI InChI=1S/C16H21NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-3,11,13,17-18H,4-9H2,1H3/t11-,13+,16+/m1/s1
InChI Key LBIHNERKYNXGRF-FFSVYQOJSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H21NO3
Molecular Weight 275.34 g/mol
Exact Mass 275.15214353 g/mol
Topological Polar Surface Area (TPSA) 50.70 Ų
XlogP 1.50

Synonyms

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C12234
AC1L9F2Q
CHEBI:31544
Q27114398
(1R,12S,14R)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol

2D Structure

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2D Structure of Epinorlycoramine

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
CHEMBL3137262 O60341 LSD1/CoREST complex 97.72% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.66% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.75% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.55% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.55% 93.99%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.17% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 88.61% 92.94%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.35% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.14% 92.62%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.52% 97.14%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.34% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.97% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.78% 95.56%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.00% 91.03%

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.
Narcissus pseudonarcissus subsp. nobilis

Cross-Links

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PubChem 443724
LOTUS LTS0221053
wikiData Q27114398