5,6-Dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone

Details

Top
Internal ID f7663995-2d4e-41fb-bd5c-7930ca30e2af
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids
IUPAC Name 2,3-dimethyl-5-(3,7,11,15-tetramethylhexadecyl)cyclohexa-2,5-diene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h19-23H,8-18H2,1-7H3
InChI Key UOKPAMDGYUZMNC-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C28H48O2
Molecular Weight 416.70 g/mol
Exact Mass 416.365430770 g/mol
Topological Polar Surface Area (TPSA) 34.10 Ų
XlogP 10.80

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 5,6-Dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone

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
CHEMBL2581 P07339 Cathepsin D 97.10% 98.95%
CHEMBL230 P35354 Cyclooxygenase-2 95.31% 89.63%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.06% 90.71%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 91.74% 85.94%
CHEMBL1907 P15144 Aminopeptidase N 91.60% 93.31%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.22% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 89.17% 94.73%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.27% 96.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.08% 97.21%

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 129848052
LOTUS LTS0093769
wikiData Q105276421