(6E,8Z)-3-hydroxy-8-(hydroxymethyl)-2,6-dimethyldeca-6,8-dienamide

Details

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Internal ID 14abf245-2da3-498a-aba8-cc2e30d99a83
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides
IUPAC Name (6E,8Z)-3-hydroxy-8-(hydroxymethyl)-2,6-dimethyldeca-6,8-dienamide
SMILES (Canonical) CC=C(CO)C=C(C)CCC(C(C)C(=O)N)O
SMILES (Isomeric) C/C=C(\CO)/C=C(\C)/CCC(C(C)C(=O)N)O
InChI InChI=1S/C13H23NO3/c1-4-11(8-15)7-9(2)5-6-12(16)10(3)13(14)17/h4,7,10,12,15-16H,5-6,8H2,1-3H3,(H2,14,17)/b9-7+,11-4-
InChI Key LNSBFHJMWYVCRZ-PJOPNLLTSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H23NO3
Molecular Weight 241.33 g/mol
Exact Mass 241.16779360 g/mol
Topological Polar Surface Area (TPSA) 83.60 Ų
XlogP 1.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (6E,8Z)-3-hydroxy-8-(hydroxymethyl)-2,6-dimethyldeca-6,8-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.04% 96.09%
CHEMBL2581 P07339 Cathepsin D 90.21% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.31% 94.45%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 88.02% 89.34%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.99% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.91% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.78% 91.11%
CHEMBL2885 P07451 Carbonic anhydrase III 84.50% 87.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.36% 96.47%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 83.56% 97.88%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.70% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.37% 91.19%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.29% 90.71%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139583285
LOTUS LTS0110100
wikiData Q75058588