3-Methoxy-5-methylnaphthalene-1-carboxamide

Details

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Internal ID fcae30c8-aeb7-4176-aad4-b16c7f4be655
Taxonomy Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives > Naphthalenecarboxamides
IUPAC Name 3-methoxy-5-methylnaphthalene-1-carboxamide
SMILES (Canonical) CC1=C2C=C(C=C(C2=CC=C1)C(=O)N)OC
SMILES (Isomeric) CC1=C2C=C(C=C(C2=CC=C1)C(=O)N)OC
InChI InChI=1S/C13H13NO2/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3,(H2,14,15)
InChI Key IHDCPWKTOXBFID-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H13NO2
Molecular Weight 215.25 g/mol
Exact Mass 215.094628657 g/mol
Topological Polar Surface Area (TPSA) 52.30 Ų
XlogP 2.40

Synonyms

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22250-89-1
3-Methoxy-5-methyl-1-naphthamide
DTXSID70550481

2D Structure

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2D Structure of 3-Methoxy-5-methylnaphthalene-1-carboxamide

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.70% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.55% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.00% 96.09%
CHEMBL2535 P11166 Glucose transporter 92.11% 98.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 88.34% 93.65%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.95% 86.33%
CHEMBL1907 P15144 Aminopeptidase N 87.12% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.95% 95.50%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.74% 99.15%
CHEMBL2581 P07339 Cathepsin D 84.73% 98.95%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 83.95% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 82.55% 94.00%
CHEMBL3714130 P46095 G-protein coupled receptor 6 82.50% 97.36%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.43% 96.00%
CHEMBL240 Q12809 HERG 82.05% 89.76%
CHEMBL3401 O75469 Pregnane X receptor 81.91% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.64% 94.45%
CHEMBL3085 P43003 Excitatory amino acid transporter 1 81.29% 94.67%
CHEMBL4208 P20618 Proteasome component C5 80.96% 90.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.39% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.02% 99.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 13818743
LOTUS LTS0098349
wikiData Q82429865