9-Methoxy-4-prop-2-enyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

Details

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Internal ID 1445950d-8a6c-48aa-89a4-bc897b018e34
Taxonomy Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids
IUPAC Name 9-methoxy-4-prop-2-enyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
SMILES (Canonical) COC1=C2C3=C(CN(CCC34C=CC(CC4O2)O)CC=C)C=C1
SMILES (Isomeric) COC1=C2C3=C(CN(CCC34C=CC(CC4O2)O)CC=C)C=C1
InChI InChI=1S/C19H23NO3/c1-3-9-20-10-8-19-7-6-14(21)11-16(19)23-18-15(22-2)5-4-13(12-20)17(18)19/h3-7,14,16,21H,1,8-12H2,2H3
InChI Key BQESVZIPHFRYNG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H23NO3
Molecular Weight 313.40 g/mol
Exact Mass 313.16779360 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9-Methoxy-4-prop-2-enyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.04% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.78% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.31% 89.62%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.10% 93.99%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.73% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.57% 97.25%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.52% 95.89%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.83% 90.24%
CHEMBL240 Q12809 HERG 86.52% 89.76%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 85.54% 91.03%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 85.44% 96.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.42% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.85% 94.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.12% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.28% 97.09%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.24% 97.14%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.08% 100.00%
CHEMBL4829 O00763 Acetyl-CoA carboxylase 2 80.45% 98.00%

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.
Leucojum aestivum

Cross-Links

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PubChem 13892266
LOTUS LTS0205280
wikiData Q104944304