N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enamide

Details

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Internal ID c6759385-5541-41dd-8881-75c3fa10ea8d
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enamide
SMILES (Canonical) CC(C)C=CCCC(=O)NCC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CC(C)C=CCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C16H23NO3/c1-12(2)6-4-5-7-16(19)17-11-13-8-9-14(18)15(10-13)20-3/h4,6,8-10,12,18H,5,7,11H2,1-3H3,(H,17,19)
InChI Key UTTHCQMKBGTYNK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H23NO3
Molecular Weight 277.36 g/mol
Exact Mass 277.16779360 g/mol
Topological Polar Surface Area (TPSA) 58.60 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[(4-hydroxy-3-methoxyphenyl)methyl]-6-methylhept-4-enamide

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 99.34% 91.11%
CHEMBL2581 P07339 Cathepsin D 97.86% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.65% 99.17%
CHEMBL2535 P11166 Glucose transporter 97.11% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.79% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.15% 94.45%
CHEMBL1255126 O15151 Protein Mdm4 92.81% 90.20%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.83% 95.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.65% 95.50%
CHEMBL4208 P20618 Proteasome component C5 88.65% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.15% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 87.62% 90.71%
CHEMBL3492 P49721 Proteasome Macropain subunit 87.02% 90.24%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.82% 96.00%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 81.67% 92.88%
CHEMBL340 P08684 Cytochrome P450 3A4 81.10% 91.19%
CHEMBL3401 O75469 Pregnane X receptor 80.88% 94.73%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.29% 100.00%

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 181309
LOTUS LTS0062067
wikiData Q105279076