2-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide

Details

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Internal ID 64fac221-7ea6-475c-8e56-b9e52127232e
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 2-[(4-hydroxy-3-methoxyphenyl)methyl]octanamide
SMILES (Canonical) CCCCCCC(CC1=CC(=C(C=C1)O)OC)C(=O)N
SMILES (Isomeric) CCCCCCC(CC1=CC(=C(C=C1)O)OC)C(=O)N
InChI InChI=1S/C16H25NO3/c1-3-4-5-6-7-13(16(17)19)10-12-8-9-14(18)15(11-12)20-2/h8-9,11,13,18H,3-7,10H2,1-2H3,(H2,17,19)
InChI Key HFDCHUMVPUASRJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H25NO3
Molecular Weight 279.37 g/mol
Exact Mass 279.18344366 g/mol
Topological Polar Surface Area (TPSA) 72.60 Ų
XlogP 3.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide

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 98.57% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 98.20% 99.17%
CHEMBL2581 P07339 Cathepsin D 97.84% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.69% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.68% 94.45%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.47% 92.08%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.75% 86.33%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.37% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.36% 96.95%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 88.50% 100.00%
CHEMBL2535 P11166 Glucose transporter 88.42% 98.75%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 87.98% 91.81%
CHEMBL1255126 O15151 Protein Mdm4 87.83% 90.20%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.40% 95.56%
CHEMBL1907 P15144 Aminopeptidase N 85.28% 93.31%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.12% 90.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.09% 93.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.73% 95.50%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.11% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.84% 95.89%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 82.25% 95.17%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 81.93% 80.78%
CHEMBL4581 P52732 Kinesin-like protein 1 81.47% 93.18%

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.
Capsicum annuum

Cross-Links

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PubChem 66978549
LOTUS LTS0116671
wikiData Q105027235