(8R)-8-tetradecyl-1,5,9,13-tetrazacycloheptadecan-6-one

Details

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Internal ID 059826f1-c528-46bf-a517-f48d2739cb4c
Taxonomy Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids
IUPAC Name (8R)-8-tetradecyl-1,5,9,13-tetrazacycloheptadecan-6-one
SMILES (Canonical) CCCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1
SMILES (Isomeric) CCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1
InChI InChI=1S/C27H56N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-26-25-27(32)31-24-17-22-29-20-15-14-19-28-21-16-23-30-26/h26,28-30H,2-25H2,1H3,(H,31,32)/t26-/m1/s1
InChI Key DBMJHZVVGFZEDY-AREMUKBSSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C27H56N4O
Molecular Weight 452.80 g/mol
Exact Mass 452.44541242 g/mol
Topological Polar Surface Area (TPSA) 65.20 Ų
XlogP 6.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (8R)-8-tetradecyl-1,5,9,13-tetrazacycloheptadecan-6-one

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
CHEMBL2581 P07339 Cathepsin D 98.77% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 96.68% 89.63%
CHEMBL3137262 O60341 LSD1/CoREST complex 96.47% 97.09%
CHEMBL2996 Q05655 Protein kinase C delta 94.56% 97.79%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.14% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.86% 96.09%
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 91.11% 94.55%
CHEMBL5103 Q969S8 Histone deacetylase 10 90.14% 90.08%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 89.96% 90.24%
CHEMBL228 P31645 Serotonin transporter 89.79% 95.51%
CHEMBL299 P17252 Protein kinase C alpha 87.57% 98.03%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.44% 91.11%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 86.82% 91.81%
CHEMBL3524 P56524 Histone deacetylase 4 86.21% 92.97%
CHEMBL1902 P62942 FK506-binding protein 1A 85.77% 97.05%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.03% 100.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.94% 93.99%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.89% 95.50%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 81.46% 92.88%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.40% 94.45%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.40% 97.29%
CHEMBL5255 O00206 Toll-like receptor 4 80.45% 92.50%

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.
Albizia adinocephala

Cross-Links

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PubChem 163038306
LOTUS LTS0239850
wikiData Q104974554