1-(2-Hydroxy-6-methoxyphenyl)-1-tetradecanone

Details

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Internal ID 42de3a00-29b8-4ae7-a0c1-70fa9ab1f827
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name 1-(2-hydroxy-6-methoxyphenyl)tetradecan-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(22)21-19(23)16-14-17-20(21)24-2/h14,16-17,23H,3-13,15H2,1-2H3
InChI Key RFDCLSCMAJQSSJ-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H34O3
Molecular Weight 334.50 g/mol
Exact Mass 334.25079494 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 8.00

Synonyms

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BDBM50274064
1-(2-hydroxy-6-methoxyphenyl)-1-tetradecanone

2D Structure

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2D Structure of 1-(2-Hydroxy-6-methoxyphenyl)-1-tetradecanone

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.66% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.67% 99.17%
CHEMBL2581 P07339 Cathepsin D 95.66% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.71% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.48% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.82% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.58% 86.33%
CHEMBL1255126 O15151 Protein Mdm4 89.05% 90.20%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.47% 96.00%
CHEMBL2535 P11166 Glucose transporter 85.89% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.69% 93.99%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.67% 93.56%
CHEMBL1907 P15144 Aminopeptidase N 80.71% 93.31%

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 13965857
LOTUS LTS0206767
wikiData Q105235317