Dodecatrienoic acid

Details

Top
Internal ID 80ae5e3f-ff5b-494d-a83d-204fad6f6089
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name (2E,4E,6E)-dodeca-2,4,6-trienoic acid
SMILES (Canonical) CCCCCC=CC=CC=CC(=O)O
SMILES (Isomeric) CCCCC/C=C/C=C/C=C/C(=O)O
InChI InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-11H,2-5H2,1H3,(H,13,14)/b7-6+,9-8+,11-10+
InChI Key QFQUMHBUJBZOBZ-OBWVEWQSSA-N
Popularity 13 references in papers

Physical and Chemical Properties

Top
Molecular Formula C12H18O2
Molecular Weight 194.27 g/mol
Exact Mass 194.130679813 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 4.00

Synonyms

Top
SCHEMBL3684735

2D Structure

Top
2D Structure of Dodecatrienoic acid

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
CHEMBL3060 Q9Y345 Glycine transporter 2 94.38% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 90.12% 89.63%
CHEMBL221 P23219 Cyclooxygenase-1 89.78% 90.17%
CHEMBL2581 P07339 Cathepsin D 88.25% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.17% 92.08%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.97% 96.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.92% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.67% 97.29%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 82.01% 96.00%
CHEMBL1781 P11387 DNA topoisomerase I 81.53% 97.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.73% 93.56%

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.
Fagopyrum esculentum

Cross-Links

Top
PubChem 87558245
LOTUS LTS0139229
wikiData Q104253480