Methyl 3,5,7,15-tetrahydroxyhexadeca-8,10-dienoate

Details

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Internal ID ea010544-3f04-4310-b1a6-d26c61692cb6
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name methyl 3,5,7,15-tetrahydroxyhexadeca-8,10-dienoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H30O6/c1-13(18)8-6-4-3-5-7-9-14(19)10-15(20)11-16(21)12-17(22)23-2/h3,5,7,9,13-16,18-21H,4,6,8,10-12H2,1-2H3
InChI Key PATFNFIUOVGRBQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H30O6
Molecular Weight 330.40 g/mol
Exact Mass 330.20423867 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 0.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Methyl 3,5,7,15-tetrahydroxyhexadeca-8,10-dienoate

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
CHEMBL3060 Q9Y345 Glycine transporter 2 95.61% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.22% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.27% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.25% 91.11%
CHEMBL4040 P28482 MAP kinase ERK2 89.56% 83.82%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.65% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.26% 96.47%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.99% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 87.80% 94.33%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 87.42% 98.75%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.25% 97.29%
CHEMBL3267 P48736 PI3-kinase p110-gamma subunit 86.87% 95.71%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.77% 93.56%
CHEMBL4227 P25090 Lipoxin A4 receptor 84.35% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 83.14% 91.19%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.00% 96.95%

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 78117885
LOTUS LTS0083536
wikiData Q105204741