1,3-Dihydroxy-5,6-dimethoxy-10-methylacridin-9-one

Details

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Internal ID 90137860-0e84-47b3-830f-756fae985eb7
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name 1,3-dihydroxy-5,6-dimethoxy-10-methylacridin-9-one
SMILES (Canonical) CN1C2=C(C(=CC(=C2)O)O)C(=O)C3=C1C(=C(C=C3)OC)OC
SMILES (Isomeric) CN1C2=C(C(=CC(=C2)O)O)C(=O)C3=C1C(=C(C=C3)OC)OC
InChI InChI=1S/C16H15NO5/c1-17-10-6-8(18)7-11(19)13(10)15(20)9-4-5-12(21-2)16(22-3)14(9)17/h4-7,18-19H,1-3H3
InChI Key RPXHTTDVHFFAHL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H15NO5
Molecular Weight 301.29 g/mol
Exact Mass 301.09502258 g/mol
Topological Polar Surface Area (TPSA) 79.20 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,3-Dihydroxy-5,6-dimethoxy-10-methylacridin-9-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 96.53% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 95.14% 93.99%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.08% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.96% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.57% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.45% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 91.41% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.07% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.83% 94.45%
CHEMBL2535 P11166 Glucose transporter 90.69% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.54% 89.62%
CHEMBL1937 Q92769 Histone deacetylase 2 90.30% 94.75%
CHEMBL4208 P20618 Proteasome component C5 90.16% 90.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 87.20% 96.12%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.48% 93.65%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 85.48% 94.42%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 85.37% 80.78%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.27% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.93% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.90% 99.15%
CHEMBL1255126 O15151 Protein Mdm4 81.48% 90.20%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 81.29% 92.68%

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.
Citrus maxima

Cross-Links

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PubChem 13965867
LOTUS LTS0175964
wikiData Q105243108