(9Z)-N-[(3-Methoxyphenyl)methyl]-9-octadecenamide

Details

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Internal ID f2cb22b0-76d6-451d-a4f3-a06ceb7bd0f4
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name (Z)-N-[(3-methoxyphenyl)methyl]octadec-9-enamide
SMILES (Canonical) CCCCCCCCC=CCCCCCCCC(=O)NCC1=CC(=CC=C1)OC
SMILES (Isomeric) CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC(=CC=C1)OC
InChI InChI=1S/C26H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h10-11,18-20,22H,3-9,12-17,21,23H2,1-2H3,(H,27,28)/b11-10-
InChI Key ZMKZIKHBSPDWEF-KHPPLWFESA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C26H43NO2
Molecular Weight 401.60 g/mol
Exact Mass 401.329379614 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 8.50

Synonyms

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883715-21-7
(9Z)-N-[(3-Methoxyphenyl)methyl]-9-octadecenamide
CHEMBL2415105
N-(3-Methoxybenzyl)oleamide
SCHEMBL22558561
HY-N6923
BDBM50438780
AKOS037515000
AC-35161
MS-26841
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (9Z)-N-[(3-Methoxyphenyl)methyl]-9-octadecenamide

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
CHEMBL2581 P07339 Cathepsin D 99.36% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 99.35% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 98.77% 92.08%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.74% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.73% 96.09%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 93.26% 95.55%
CHEMBL3401 O75469 Pregnane X receptor 93.21% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.96% 95.56%
CHEMBL2535 P11166 Glucose transporter 91.34% 98.75%
CHEMBL221 P23219 Cyclooxygenase-1 91.01% 90.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.40% 97.29%
CHEMBL240 Q12809 HERG 89.22% 89.76%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.08% 94.45%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 88.62% 96.67%
CHEMBL1781 P11387 DNA topoisomerase I 88.15% 97.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.30% 95.50%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.12% 96.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.49% 96.95%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 84.37% 89.33%
CHEMBL3891 P07384 Calpain 1 82.31% 93.04%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.00% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.18% 92.62%

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.
Lepidium meyenii

Cross-Links

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PubChem 73346080
LOTUS LTS0103928
wikiData Q105379500