3-Hydroxy-4-methylindeno[1,2-b]pyridin-5-one

Details

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Internal ID f3751847-f8fe-4557-bde6-f6c8129a4ce1
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones
IUPAC Name 3-hydroxy-4-methylindeno[1,2-b]pyridin-5-one
SMILES (Canonical) CC1=C2C(=NC=C1O)C3=CC=CC=C3C2=O
SMILES (Isomeric) CC1=C2C(=NC=C1O)C3=CC=CC=C3C2=O
InChI InChI=1S/C13H9NO2/c1-7-10(15)6-14-12-8-4-2-3-5-9(8)13(16)11(7)12/h2-6,15H,1H3
InChI Key NXDKVXVMXMSWAG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H9NO2
Molecular Weight 211.22 g/mol
Exact Mass 211.063328530 g/mol
Topological Polar Surface Area (TPSA) 50.20 Ų
XlogP 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-Hydroxy-4-methylindeno[1,2-b]pyridin-5-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
CHEMBL1951 P21397 Monoamine oxidase A 96.83% 91.49%
CHEMBL2581 P07339 Cathepsin D 96.57% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.56% 95.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 90.17% 93.65%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 89.85% 96.67%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.41% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.91% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.90% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 86.72% 94.73%
CHEMBL2535 P11166 Glucose transporter 86.27% 98.75%
CHEMBL301 P24941 Cyclin-dependent kinase 2 85.93% 91.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.96% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.46% 94.75%
CHEMBL308 P06493 Cyclin-dependent kinase 1 82.17% 91.73%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 80.03% 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.
Trivalvaria costata

Cross-Links

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PubChem 102080682
LOTUS LTS0169118
wikiData Q105187109