Tensyuic acid E

Details

Top
Internal ID 46711c9f-ff49-4594-8f9c-acecced68bc0
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
IUPAC Name 2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid
SMILES (Canonical) COC(=O)CCCCCCCC(C(=C)C(=O)O)C(=O)O
SMILES (Isomeric) COC(=O)CCCCCCCC(C(=C)C(=O)O)C(=O)O
InChI InChI=1S/C14H22O6/c1-10(13(16)17)11(14(18)19)8-6-4-3-5-7-9-12(15)20-2/h11H,1,3-9H2,2H3,(H,16,17)(H,18,19)
InChI Key IOUNJEVHPQCKKE-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C14H22O6
Molecular Weight 286.32 g/mol
Exact Mass 286.14163842 g/mol
Topological Polar Surface Area (TPSA) 101.00 Ų
XlogP 2.60

Synonyms

Top
(+)-tensyuic acid E
CHEBI:133831
(+)-2-(8-methoxy-8-oxooctyl)-3-methylenesuccinic acid
2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid
(3Xi)-2-(8-methoxy-8-oxooctyl)-3-methylenesuccinic acid
(+)-2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid
(3Xi)-2-(8-methoxy-8-oxooctyl)-3-methylidenebutanedioic acid

2D Structure

Top
2D Structure of Tensyuic acid E

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
CHEMBL4040 P28482 MAP kinase ERK2 98.91% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.42% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.12% 99.17%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 92.38% 95.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.25% 91.11%
CHEMBL2581 P07339 Cathepsin D 90.82% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.35% 97.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.38% 93.56%
CHEMBL340 P08684 Cytochrome P450 3A4 83.10% 91.19%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.02% 94.45%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.02% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.26% 96.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.19% 94.33%

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.
There are no matching plants.

Cross-Links

Top
PubChem 23652018
LOTUS LTS0131384
wikiData Q77493852