5-Hexatriacontanone

Details

• Internal ID: 3c84d14c-3abc-49c0-820e-8274f18e697f
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
• IUPAC Name: hexatriacontan-5-one
• SMILES (Canonical): CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC
• SMILES (Isomeric): CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCC
• InChI: InChI=1S/C36H72O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36(37)34-6-4-2/h3-35H2,1-2H3
• InChI Key: ACHLEYSDMHROKR-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₆H₇₂O
• Molecular Weight: 521.00 g/mol
• Exact Mass: 520.55831692 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 17.40

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	94.30%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.55%	99.17%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	92.29%	85.94%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.18%	92.08%
CHEMBL2581	P07339	Cathepsin D	91.94%	98.95%
CHEMBL230	P35354	Cyclooxygenase-2	89.78%	89.63%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.97%	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%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	83.07%	95.17%
CHEMBL299	P17252	Protein kinase C alpha	80.96%	98.03%
CHEMBL2885	P07451	Carbonic anhydrase III	80.01%	87.45%

Plants that contains it

• Solanum torvum

Cross-Links

• PubChem: 129847814
• LOTUS: LTS0194857
• wikiData: Q104909096