N-benzyl-9-oxooctadeca-12,15-dienamide

Details

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Internal ID 1a7310bb-081c-48ad-939d-e435b8768ba2
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name N-benzyl-9-oxooctadeca-12,15-dienamide
SMILES (Canonical) CCC=CCC=CCCC(=O)CCCCCCCC(=O)NCC1=CC=CC=C1
SMILES (Isomeric) CCC=CCC=CCCC(=O)CCCCCCCC(=O)NCC1=CC=CC=C1
InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-8-14-19-24(27)20-15-9-7-10-16-21-25(28)26-22-23-17-12-11-13-18-23/h3-4,6,8,11-13,17-18H,2,5,7,9-10,14-16,19-22H2,1H3,(H,26,28)
InChI Key OKPZGMGCJRBZIN-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C25H37NO2
Molecular Weight 383.60 g/mol
Exact Mass 383.282429423 g/mol
Topological Polar Surface Area (TPSA) 46.20 Ų
XlogP 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-benzyl-9-oxooctadeca-12,15-dienamide

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 98.74% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.26% 99.17%
CHEMBL221 P23219 Cyclooxygenase-1 96.05% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.99% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.89% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.14% 95.56%
CHEMBL3902 P09211 Glutathione S-transferase Pi 89.72% 93.81%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.06% 95.50%
CHEMBL1781 P11387 DNA topoisomerase I 85.33% 97.00%
CHEMBL3401 O75469 Pregnane X receptor 84.36% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 83.48% 92.08%
CHEMBL3492 P49721 Proteasome Macropain subunit 82.83% 90.24%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 81.21% 96.67%

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 73804199
LOTUS LTS0159519
wikiData Q105193680