Quinolactacin D1/D2

Details

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Internal ID dab589e8-1f0f-45f4-9786-4a5b9ababab8
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Pyrroloquinolines
IUPAC Name 3-hydroxy-4-methyl-3-(2-methylpropyl)-2H-pyrrolo[3,4-b]quinoline-1,9-dione
SMILES (Canonical) CC(C)CC1(C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1)O
SMILES (Isomeric) CC(C)CC1(C2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1)O
InChI InChI=1S/C16H18N2O3/c1-9(2)8-16(21)14-12(15(20)17-16)13(19)10-6-4-5-7-11(10)18(14)3/h4-7,9,21H,8H2,1-3H3,(H,17,20)
InChI Key FBBHNZPDFHKYJW-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H18N2O3
Molecular Weight 286.33 g/mol
Exact Mass 286.13174244 g/mol
Topological Polar Surface Area (TPSA) 69.60 Ų
XlogP 1.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Quinolactacin D1/D2

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 98.47% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.80% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.25% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.19% 85.14%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.28% 93.99%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.07% 97.25%
CHEMBL255 P29275 Adenosine A2b receptor 88.55% 98.59%
CHEMBL5103 Q969S8 Histone deacetylase 10 88.48% 90.08%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.94% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.20% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.95% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 84.56% 94.75%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 83.74% 83.10%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.27% 99.23%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.15% 96.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.35% 86.33%

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 9921944
LOTUS LTS0201966
wikiData Q77625211