2-Hydroxy-1,3-dimethoxy-7H-dibenzo[de,g]quinolin-7-one

Details

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Internal ID 25240e15-f3c3-4580-8047-2d9399626c4c
Taxonomy Alkaloids and derivatives > Aporphines
IUPAC Name 14,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),11,13-heptaene-8,15-dione
SMILES (Canonical) COC1=C2C=CNC3=C2C(=C(C1=O)OC)C4=CC=CC=C4C3=O
SMILES (Isomeric) COC1=C2C=CNC3=C2C(=C(C1=O)OC)C4=CC=CC=C4C3=O
InChI InChI=1S/C18H13NO4/c1-22-17-11-7-8-19-14-12(11)13(18(23-2)16(17)21)9-5-3-4-6-10(9)15(14)20/h3-8,19H,1-2H3
InChI Key TZZAPJXFLCXBHT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H13NO4
Molecular Weight 307.30 g/mol
Exact Mass 307.08445790 g/mol
Topological Polar Surface Area (TPSA) 64.60 Ų
XlogP 1.80

Synonyms

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5574-23-2
DTXSID601207409

2D Structure

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2D Structure of 2-Hydroxy-1,3-dimethoxy-7H-dibenzo[de,g]quinolin-7-one

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 97.47% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.20% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.20% 93.99%
CHEMBL2581 P07339 Cathepsin D 92.30% 98.95%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 89.66% 92.67%
CHEMBL2535 P11166 Glucose transporter 88.25% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.91% 94.00%
CHEMBL1937 Q92769 Histone deacetylase 2 81.49% 94.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.46% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 81.10% 93.31%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.91% 99.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.54% 96.09%

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.
Pseuduvaria macrophylla

Cross-Links

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PubChem 71438443
LOTUS LTS0198431
wikiData Q105268496