Pentacosane-6,10,16,20-tetrone

Details

• Internal ID: 46edca13-b01b-4656-9d44-ed0a1660fe87
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
• IUPAC Name: pentacosane-6,10,16,20-tetrone
• SMILES (Canonical): CCCCCC(=O)CCCC(=O)CCCCCC(=O)CCCC(=O)CCCCC
• SMILES (Isomeric): CCCCCC(=O)CCCC(=O)CCCCCC(=O)CCCC(=O)CCCCC
• InChI: InChI=1S/C25H44O4/c1-3-5-8-14-22(26)18-12-20-24(28)16-10-7-11-17-25(29)21-13-19-23(27)15-9-6-4-2/h3-21H2,1-2H3
• InChI Key: PAJGQOXXDXBKCI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₄₄O₄
• Molecular Weight: 408.60 g/mol
• Exact Mass: 408.32395988 g/mol
• Topological Polar Surface Area (TPSA): 68.30 Ų
• XlogP: 4.50

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.78%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.55%	99.17%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.18%	92.08%
CHEMBL2581	P07339	Cathepsin D	91.93%	98.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	91.68%	85.94%
CHEMBL230	P35354	Cyclooxygenase-2	91.67%	89.63%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	89.36%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.93%	96.95%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	83.47%	91.81%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	83.16%	92.86%
CHEMBL299	P17252	Protein kinase C alpha	80.97%	98.03%

Plants that contains it

• Trifolium pratense

Cross-Links

• PubChem: 86023654
• LOTUS: LTS0181172
• wikiData: Q105204555