3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetracontane-1,2,3,7,11,15,19,23,27,31,35,39,43-tridecol

Details

• Internal ID: da4a426b-02a4-493a-a539-f289feddf92d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Polyprenols
• IUPAC Name: 3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetracontane-1,2,3,7,11,15,19,23,27,31,35,39,43-tridecol
• SMILES (Canonical): CC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(C(CO)O)O)O)O)O)O)O)O)O)O)O)O
• SMILES (Isomeric): CC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(C(CO)O)O)O)O)O)O)O)O)O)O)O)O
• InChI: InChI=1S/C55H112O13/c1-45(2,58)23-13-24-46(3,59)25-14-26-47(4,60)27-15-28-48(5,61)29-16-30-49(6,62)31-17-32-50(7,63)33-18-34-51(8,64)35-19-36-52(9,65)37-20-38-53(10,66)39-21-40-54(11,67)41-22-42-55(12,68)44(57)43-56/h44,56-68H,13-43H2,1-12H3
• InChI Key: GRTDQCYKFQXGKD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅₅H₁₁₂O₁₃
• Molecular Weight: 981.50 g/mol
• Exact Mass: 980.81029362 g/mol
• Topological Polar Surface Area (TPSA): 263.00 Ų
• XlogP: 5.20

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4040	P28482	MAP kinase ERK2	96.68%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.52%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	92.04%	97.25%
CHEMBL2581	P07339	Cathepsin D	90.98%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	87.26%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	85.10%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	80.99%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162913932
• LOTUS: LTS0112396
• wikiData: Q105016435