10-Methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid

Details

Top
Internal ID 1403b6c5-f9db-48f8-aa4d-ef46a0cf1b7f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids
IUPAC Name 10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H20O4/c1-10(7-8-13(16)17-3)5-4-6-11(2)9-12(14)15/h5,9H,4,6-8H2,1-3H3,(H,14,15)
InChI Key YGMFRMJDLJQZDH-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C13H20O4
Molecular Weight 240.29 g/mol
Exact Mass 240.13615911 g/mol
Topological Polar Surface Area (TPSA) 63.60 Ų
XlogP 2.80

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 10-Methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic 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
CHEMBL4040 P28482 MAP kinase ERK2 91.53% 83.82%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.24% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.11% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.74% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.35% 91.11%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 84.85% 94.33%
CHEMBL340 P08684 Cytochrome P450 3A4 83.87% 91.19%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 83.50% 92.08%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 82.24% 96.00%

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 162814763
LOTUS LTS0073118
wikiData Q104201679