spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol

Details

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Internal ID e23df85c-1af4-49b0-919d-c9bbf7e2c54e
Taxonomy Organoheterocyclic compounds > Imidazopyridines
IUPAC Name spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
SMILES (Canonical) C1CCC2(CCCN3C2=NC=C3)C(C1)O
SMILES (Isomeric) C1CCC2(CCCN3C2=NC=C3)C(C1)O
InChI InChI=1S/C12H18N2O/c15-10-4-1-2-5-12(10)6-3-8-14-9-7-13-11(12)14/h7,9-10,15H,1-6,8H2
InChI Key LAULFUSFQNMFPM-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H18N2O
Molecular Weight 206.28 g/mol
Exact Mass 206.141913202 g/mol
Topological Polar Surface Area (TPSA) 38.00 Ų
XlogP 1.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-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
CHEMBL2243 O00519 Anandamide amidohydrolase 95.57% 97.53%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.84% 96.09%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 91.38% 90.24%
CHEMBL4040 P28482 MAP kinase ERK2 90.57% 83.82%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 88.65% 93.10%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 87.29% 94.78%
CHEMBL241 Q14432 Phosphodiesterase 3A 87.19% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.13% 97.09%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 81.97% 93.04%
CHEMBL2581 P07339 Cathepsin D 81.87% 98.95%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 81.31% 98.99%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 81.11% 98.33%
CHEMBL1938212 Q9UPP1 Histone lysine demethylase PHF8 80.88% 98.33%
CHEMBL221 P23219 Cyclooxygenase-1 80.81% 90.17%
CHEMBL4101 P17612 cAMP-dependent protein kinase alpha-catalytic subunit 80.62% 82.86%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 80.53% 80.33%

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.
Nitraria sibirica

Cross-Links

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PubChem 14391701
LOTUS LTS0110651
wikiData Q105148962