4-Methylindeno[2,1-b]pyridin-9-one

Details

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Internal ID 040dea34-a315-4253-a9f5-37a40c7121f5
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones
IUPAC Name 4-methylindeno[2,1-b]pyridin-9-one
SMILES (Canonical) CC1=C2C3=CC=CC=C3C(=O)C2=NC=C1
SMILES (Isomeric) CC1=C2C3=CC=CC=C3C(=O)C2=NC=C1
InChI InChI=1S/C13H9NO/c1-8-6-7-14-12-11(8)9-4-2-3-5-10(9)13(12)15/h2-7H,1H3
InChI Key YDCSRSRWPHXQLV-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H9NO
Molecular Weight 195.22 g/mol
Exact Mass 195.068413911 g/mol
Topological Polar Surface Area (TPSA) 30.00 Ų
XlogP 2.70

Synonyms

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SCHEMBL23235907

2D Structure

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2D Structure of 4-Methylindeno[2,1-b]pyridin-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
CHEMBL2581 P07339 Cathepsin D 94.64% 98.95%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 93.67% 96.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.83% 95.56%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 88.80% 93.65%
CHEMBL3401 O75469 Pregnane X receptor 88.62% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.74% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.62% 99.23%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 86.70% 96.47%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.31% 86.33%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.61% 100.00%
CHEMBL1951 P21397 Monoamine oxidase A 84.43% 91.49%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.66% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.50% 94.00%
CHEMBL1907 P15144 Aminopeptidase N 82.33% 93.31%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.15% 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.
Cleistopholis patens
Guatteria blepharophylla
Onychopetalum amazonicum

Cross-Links

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PubChem 14626439
LOTUS LTS0085127
wikiData Q105346661