(14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol

Details

Top
Internal ID 86e2d2da-a442-4cd4-bd64-b98534788673
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
IUPAC Name (14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
SMILES (Canonical) CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C
SMILES (Isomeric) CC(=CCC/C(=C/CCC(=CCCC(=CCCC(=CCO)C)C)C)/C)C
InChI InChI=1S/C25H42O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,19,26H,7-10,12,14,16,18,20H2,1-6H3/b22-13+,23-15?,24-17?,25-19?
InChI Key YHTCXUSSQJMLQD-RWHLJXIASA-N
Popularity 17 references in papers

Physical and Chemical Properties

Top
Molecular Formula C25H42O
Molecular Weight 358.60 g/mol
Exact Mass 358.323565959 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 8.50

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol

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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.25% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.82% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.45% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.91% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.90% 99.17%

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.
Triticum aestivum

Cross-Links

Top
PubChem 129630587
LOTUS LTS0270457
wikiData Q105348606