(E,8R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide

Details

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Internal ID 451e6ac5-fc09-45da-8e22-e6cf55fde3b9
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (E,8R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide
SMILES (Canonical) CCC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CC[C@@H](C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+/t15-/m1/s1
InChI Key MLJGZARGNROKAC-LOWQCSRCSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H29NO3
Molecular Weight 319.40 g/mol
Exact Mass 319.21474379 g/mol
Topological Polar Surface Area (TPSA) 58.60 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (E,8R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-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 99.47% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 99.14% 99.17%
CHEMBL2581 P07339 Cathepsin D 99.06% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.40% 96.09%
CHEMBL2535 P11166 Glucose transporter 96.45% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.78% 94.45%
CHEMBL1255126 O15151 Protein Mdm4 93.74% 90.20%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.73% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.21% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.03% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.06% 90.71%
CHEMBL3492 P49721 Proteasome Macropain subunit 87.92% 90.24%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 86.56% 96.67%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 85.43% 97.21%
CHEMBL4208 P20618 Proteasome component C5 85.01% 90.00%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.43% 100.00%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.40% 97.29%
CHEMBL3401 O75469 Pregnane X receptor 83.15% 94.73%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 82.68% 89.33%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 82.20% 92.88%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 81.51% 96.25%

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 163189177
LOTUS LTS0235488
wikiData Q105166731