trans-2-(1-Hex-5-enyl)-5-(1-non-8-enyl) pyrrolidine

Details

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Internal ID a634cc02-6250-44cf-8cd5-8054462aeee8
Taxonomy Organoheterocyclic compounds > Pyrrolidines
IUPAC Name (2S,5S)-2-hex-5-enyl-5-non-8-enylpyrrolidine
SMILES (Canonical) C=CCCCCCCCC1CCC(N1)CCCCC=C
SMILES (Isomeric) C=CCCCCCCC[C@H]1CC[C@@H](N1)CCCCC=C
InChI InChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18-20H,1-2,5-17H2/t18-,19-/m0/s1
InChI Key YCQNSAJAZIVRFR-OALUTQOASA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C19H35N
Molecular Weight 277.50 g/mol
Exact Mass 277.276950121 g/mol
Topological Polar Surface Area (TPSA) 12.00 Ų
XlogP 6.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of trans-2-(1-Hex-5-enyl)-5-(1-non-8-enyl) pyrrolidine

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
CHEMBL325 Q13547 Histone deacetylase 1 95.28% 95.92%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.36% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.77% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.53% 96.09%
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 85.94% 94.55%
CHEMBL1902 P62942 FK506-binding protein 1A 85.57% 97.05%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.34% 93.99%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 85.31% 92.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.26% 91.11%
CHEMBL5103 Q969S8 Histone deacetylase 10 85.11% 90.08%
CHEMBL228 P31645 Serotonin transporter 85.01% 95.51%
CHEMBL1829 O15379 Histone deacetylase 3 84.27% 95.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.75% 89.34%
CHEMBL5203 P33316 dUTP pyrophosphatase 83.52% 99.18%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 83.34% 95.50%
CHEMBL2581 P07339 Cathepsin D 82.30% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 81.81% 94.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.49% 99.17%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.85% 85.49%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 80.41% 97.29%
CHEMBL1865 Q9UBN7 Histone deacetylase 6 80.30% 97.03%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.10% 95.89%

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 129775854
LOTUS LTS0066256
wikiData Q105346421