5-Amino-2-trideca-3,5-dienylpiperidin-4-ol

Details

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Internal ID f1a71745-ba9e-4afe-8887-86bba426e3a0
Taxonomy Alkaloids and derivatives
IUPAC Name 5-amino-2-trideca-3,5-dienylpiperidin-4-ol
SMILES (Canonical) CCCCCCCC=CC=CCCC1CC(C(CN1)N)O
SMILES (Isomeric) CCCCCCCC=CC=CCCC1CC(C(CN1)N)O
InChI InChI=1S/C18H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-18(21)17(19)15-20-16/h8-11,16-18,20-21H,2-7,12-15,19H2,1H3
InChI Key SUCIRJXWHXGMLK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H34N2O
Molecular Weight 294.50 g/mol
Exact Mass 294.267113712 g/mol
Topological Polar Surface Area (TPSA) 58.30 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Amino-2-trideca-3,5-dienylpiperidin-4-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
CHEMBL3137262 O60341 LSD1/CoREST complex 97.94% 97.09%
CHEMBL230 P35354 Cyclooxygenase-2 96.73% 89.63%
CHEMBL2996 Q05655 Protein kinase C delta 95.78% 97.79%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.76% 96.09%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.69% 92.86%
CHEMBL221 P23219 Cyclooxygenase-1 94.65% 90.17%
CHEMBL299 P17252 Protein kinase C alpha 93.84% 98.03%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.81% 97.29%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.59% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 93.10% 96.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 91.42% 85.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.37% 94.45%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.18% 92.08%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 90.98% 100.00%
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 90.85% 94.55%
CHEMBL2581 P07339 Cathepsin D 90.60% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.58% 99.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.37% 97.25%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.86% 89.34%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 86.34% 91.81%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 86.11% 94.01%
CHEMBL2885 P07451 Carbonic anhydrase III 85.37% 87.45%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 84.72% 92.88%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.64% 92.94%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.62% 89.62%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 84.05% 95.58%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 83.41% 95.50%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 82.25% 96.00%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 81.04% 90.24%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.54% 97.21%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 72737862
LOTUS LTS0082986
wikiData Q105260791