(9Z,12Z)-N-(3-Methoxybenzyl)octadeca-9,12-dienamide

Details

Top
Internal ID 273b1e5c-f435-4c9b-9a58-c828ca8c7838
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name (9Z,12Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12-dienamide
SMILES (Canonical) CCCCCC=CCC=CCCCCCCCC(=O)NCC1=CC(=CC=C1)OC
SMILES (Isomeric) CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC(=CC=C1)OC
InChI InChI=1S/C26H41NO2/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/h7-8,10-11,18-20,22H,3-6,9,12-17,21,23H2,1-2H3,(H,27,28)/b8-7-,11-10-
InChI Key BMQBTHWVNBJSPS-NQLNTKRDSA-N
Popularity 7 references in papers

Physical and Chemical Properties

Top
Molecular Formula C26H41NO2
Molecular Weight 399.60 g/mol
Exact Mass 399.313729551 g/mol
Topological Polar Surface Area (TPSA) 38.30 Ų
XlogP 7.80

Synonyms

Top
Macamide Impurity 10
N-(3-METHOXYBENZYL-(9Z,12Z)-OCTADECADIENAMIDE
N-(3-Methoxy)Benzyllinoleamide
(9Z,12Z)-N-(3-Methoxybenzyl)octadeca-9,12-dienamide
CHEMBL2413160
(9Z,12Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12-dienamide
N-3-methoxybenzyl-linoleamide
SCHEMBL20598982
BMQBTHWVNBJSPS-NQLNTKRDSA-N
DTXSID601187441
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of (9Z,12Z)-N-(3-Methoxybenzyl)octadeca-9,12-dienamide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 99.47% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 99.37% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 98.82% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.72% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.60% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.96% 95.56%
CHEMBL2535 P11166 Glucose transporter 92.73% 98.75%
CHEMBL240 Q12809 HERG 92.70% 89.76%
CHEMBL221 P23219 Cyclooxygenase-1 92.20% 90.17%
CHEMBL3401 O75469 Pregnane X receptor 92.03% 94.73%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 91.45% 95.55%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.52% 97.29%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 87.94% 90.75%
CHEMBL1781 P11387 DNA topoisomerase I 87.85% 97.00%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 87.61% 96.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.31% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.89% 94.45%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.86% 95.50%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.21% 96.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.16% 86.33%
CHEMBL3891 P07384 Calpain 1 83.16% 93.04%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 83.03% 94.80%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 82.53% 89.33%
CHEMBL3902 P09211 Glutathione S-transferase Pi 81.75% 93.81%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 81.52% 90.24%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.18% 92.62%

Plants that contains it

Top
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

Top
PubChem 73346043
LOTUS LTS0154150
wikiData Q105100874