5-(7-Methyloctyl)-1,2,3,4-tetrahydroquinoline

Details

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Internal ID 40a648c0-d852-4aa4-a706-7db5a5b74420
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Hydroquinolines
IUPAC Name 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H29N/c1-15(2)9-5-3-4-6-10-16-11-7-13-18-17(16)12-8-14-19-18/h7,11,13,15,19H,3-6,8-10,12,14H2,1-2H3
InChI Key QKRGALGNFOCZRB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H29N
Molecular Weight 259.40 g/mol
Exact Mass 259.229999929 g/mol
Topological Polar Surface Area (TPSA) 12.00 Ų
XlogP 6.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-(7-Methyloctyl)-1,2,3,4-tetrahydroquinoline

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 98.82% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.06% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.45% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.75% 93.99%
CHEMBL1907 P15144 Aminopeptidase N 93.51% 93.31%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.33% 97.09%
CHEMBL1907598 P05106 Integrin alpha-V/beta-3 91.09% 95.71%
CHEMBL230 P35354 Cyclooxygenase-2 89.80% 89.63%
CHEMBL3310 Q96DB2 Histone deacetylase 11 89.11% 88.56%
CHEMBL3401 O75469 Pregnane X receptor 88.05% 94.73%
CHEMBL5805 Q9NR97 Toll-like receptor 8 86.71% 96.25%
CHEMBL2996 Q05655 Protein kinase C delta 86.29% 97.79%
CHEMBL2535 P11166 Glucose transporter 85.33% 98.75%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.29% 93.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.19% 86.33%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 84.90% 97.23%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.60% 90.71%
CHEMBL5103 Q969S8 Histone deacetylase 10 82.50% 90.08%
CHEMBL226 P30542 Adenosine A1 receptor 82.32% 95.93%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.13% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.72% 97.25%

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 73053139
LOTUS LTS0221955
wikiData Q102165873