N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide

Details

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Internal ID f1a74153-e704-408e-93fd-108a534857cc
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enamide
SMILES (Canonical) CC(C)C=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CC(C)C=CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C17H25NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)
InChI Key UTNZMGHHFHHIAY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H25NO3
Molecular Weight 291.40 g/mol
Exact Mass 291.18344366 g/mol
Topological Polar Surface Area (TPSA) 58.60 Ų
XlogP 3.00

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]-7-methyloct-5-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 99.56% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 98.60% 99.17%
CHEMBL2581 P07339 Cathepsin D 98.34% 98.95%
CHEMBL2535 P11166 Glucose transporter 97.01% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.54% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 94.66% 90.20%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.56% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.69% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 89.46% 90.71%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.59% 90.24%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.49% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.02% 96.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.43% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 83.72% 94.73%
CHEMBL4208 P20618 Proteasome component C5 83.70% 90.00%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 83.28% 92.88%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 82.85% 97.29%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 82.24% 98.11%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 81.22% 96.67%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.78% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.58% 91.19%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.02% 97.21%

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 181308
LOTUS LTS0195111
wikiData Q105278916