3,7,11,15-Tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol

Details

Top
Internal ID 2af335ac-5fe5-4cc6-8408-eed78a440a19
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
IUPAC Name 3,7,11,15-tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H34O3/c1-16(2)14-19(22)15-18(4)9-7-12-20(5,23)11-6-8-17(3)10-13-21/h6,9-11,14,19,21-23H,7-8,12-13,15H2,1-5H3
InChI Key XVUHXGFVXWXCFD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C20H34O3
Molecular Weight 322.50 g/mol
Exact Mass 322.25079494 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 4.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 3,7,11,15-Tetramethylhexadeca-2,5,10,14-tetraene-1,7,13-triol

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 93.20% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.06% 99.17%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.45% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 87.16% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.80% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.58% 96.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.33% 93.56%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.23% 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 73837999
LOTUS LTS0220654
wikiData Q105343164