Marinoquinoline A

Details

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Internal ID 3d836763-5473-4aba-9ebc-d5455191df90
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines
IUPAC Name 4-methyl-3H-pyrrolo[2,3-c]quinoline
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-12)9-4-2-3-5-11(9)14-8/h2-7,13H,1H3
InChI Key ACXUHCGZGZYMGI-UHFFFAOYSA-N
Popularity 16 references in papers

Physical and Chemical Properties

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Molecular Formula C12H10N2
Molecular Weight 182.22 g/mol
Exact Mass 182.084398327 g/mol
Topological Polar Surface Area (TPSA) 28.70 Ų
XlogP 2.70

Synonyms

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4-METHYL-3H-PYRROLO[2,3-C]QUINOLINE
920317-36-8
CHEBI:67839
CHEMBL1773677
SCHEMBL15188904
DTXSID10680670
ACXUHCGZGZYMGI-UHFFFAOYSA-N
BDBM50603968
AKOS032947851
CS-0531309
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Marinoquinoline A

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 94.98% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 91.85% 93.99%
CHEMBL2581 P07339 Cathepsin D 86.91% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.86% 86.33%
CHEMBL1937 Q92769 Histone deacetylase 2 83.80% 94.75%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.28% 94.62%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.03% 99.23%
CHEMBL1907 P15144 Aminopeptidase N 80.67% 93.31%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 80.53% 89.44%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.37% 92.67%

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 52952002
LOTUS LTS0078428
wikiData Q27136315