9,10-Pentacosadiene

Details

Top
Internal ID 7f5efca0-8a13-47bf-b581-587bd75f64d0
Taxonomy Allenes > Acyclic allenes
IUPAC Name pentacosa-9,10-diene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h17,21H,3-16,18,20,22-25H2,1-2H3
InChI Key DXBGJJXZTQSWTG-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C25H48
Molecular Weight 348.60 g/mol
Exact Mass 348.375601531 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 11.90

Synonyms

Top
LMFA11000535

2D Structure

Top
2D Structure of 9,10-Pentacosadiene

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
CHEMBL230 P35354 Cyclooxygenase-2 96.90% 89.63%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.01% 92.08%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 95.10% 92.86%
CHEMBL2581 P07339 Cathepsin D 90.20% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.07% 99.17%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.71% 91.81%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.02% 97.29%
CHEMBL221 P23219 Cyclooxygenase-1 86.88% 90.17%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 84.91% 85.94%
CHEMBL2885 P07451 Carbonic anhydrase III 84.81% 87.45%
CHEMBL2996 Q05655 Protein kinase C delta 83.56% 97.79%
CHEMBL1907 P15144 Aminopeptidase N 83.00% 93.31%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.69% 96.09%

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 12124398
LOTUS LTS0131532
wikiData Q104990908