Lemobiline

Details

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Internal ID fc9f063f-1ada-42ba-bda9-1d03b103ce7a
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Dihydrofuranoquinolines
IUPAC Name 2,2,3,9-tetramethyl-3H-furo[2,3-b]quinolin-4-one
SMILES (Canonical) CC1C2=C(N(C3=CC=CC=C3C2=O)C)OC1(C)C
SMILES (Isomeric) CC1C2=C(N(C3=CC=CC=C3C2=O)C)OC1(C)C
InChI InChI=1S/C15H17NO2/c1-9-12-13(17)10-7-5-6-8-11(10)16(4)14(12)18-15(9,2)3/h5-9H,1-4H3
InChI Key BXTFNWWMVUHWQA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H17NO2
Molecular Weight 243.30 g/mol
Exact Mass 243.125928785 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 2.90

Synonyms

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Lemobilin
26126-76-1
UNII-5DW29TQV25
5DW29TQV25
C10705
FURO(2,3-b)quinolin-4(2H)-one, 3,9-dihydro-2,2,3,9-tetramethyl-, (-)-
2,2,3,9-tetramethyl-3H-furo[2,3-b]quinolin-4-one
2,2,3,9-tetramethyl-3,9-dihydrofuro[2,3-b]quinolin-4(2H)-one
Furo[2,3-b]quinolin-4(2H)-one, 3,9-dihydro-2,2,3,9-tetramethyl-, (-)-
AC1L9DN5
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lemobiline

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.44% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.63% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.24% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.98% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.41% 96.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.44% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.07% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.63% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.78% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.89% 91.11%
CHEMBL3045 P05771 Protein kinase C beta 82.88% 97.63%
CHEMBL255 P29275 Adenosine A2b receptor 82.54% 98.59%

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.
Euxylophora paraensis
Flindersia ifflana

Cross-Links

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PubChem 442917
LOTUS LTS0171254
wikiData Q27107195