1-Hydroxy-10-methylacridone

Details

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Internal ID 17930c79-6b08-4969-bb9a-b92346d5f049
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name 1-hydroxy-10-methylacridin-9-one
SMILES (Canonical) CN1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31
SMILES (Isomeric) CN1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31
InChI InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3
InChI Key NHYDBJFGZCQFEO-UHFFFAOYSA-N
Popularity 26 references in papers

Physical and Chemical Properties

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Molecular Formula C14H11NO2
Molecular Weight 225.24 g/mol
Exact Mass 225.078978594 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 3.80

Synonyms

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1-hydroxy-10-methylacridone
1-hydroxy-N-methylacridone
1-hydroxy-10-methylacridin-9-one
1-Hydroxy-10-methylacridin-9(10H)-one
1-Hydroxy-10-methyl-9(10H)-acridinone
1-HYDROXY-10-METHYL-10H-ACRIDIN-9-ONE
1-HYDROXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE
9(10H)-Acridinone, 1-hydroxy-10-methyl-
1-Hydrxy-N-methylacridon
MLS000755253
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-Hydroxy-10-methylacridone

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
CHEMBL5514 P42858 Huntingtin 15848.9 nM
Potency
via CMAUP
CHEMBL1293224 P10636 Microtubule-associated protein tau 11220.2 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.37% 95.56%
CHEMBL2581 P07339 Cathepsin D 96.93% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 96.84% 93.99%
CHEMBL1951 P21397 Monoamine oxidase A 93.65% 91.49%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 91.21% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.51% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.13% 99.23%
CHEMBL1937 Q92769 Histone deacetylase 2 88.24% 94.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.03% 93.65%
CHEMBL3401 O75469 Pregnane X receptor 84.67% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.12% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.89% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.17% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.31% 94.00%

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.
Boronia lanceolata
Ruta chalepensis
Ruta graveolens
Thamnosma rhodesica

Cross-Links

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PubChem 5376484
NPASS NPC204867
ChEMBL CHEMBL1288799
LOTUS LTS0118813
wikiData Q82229468