Tricosanal

Details

• Internal ID: d82a6d00-770c-42c5-aa88-0889aeaf74a4
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
• IUPAC Name: tricosanal
• SMILES (Canonical): CCCCCCCCCCCCCCCCCCCCCCC=O
• SMILES (Isomeric): CCCCCCCCCCCCCCCCCCCCCCC=O
• InChI: InChI=1S/C23H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h23H,2-22H2,1H3
• InChI Key: IALIDHPAWNTXOK-UHFFFAOYSA-N
• Popularity: 58 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₄₆O
• Molecular Weight: 338.60 g/mol
• Exact Mass: 338.354866087 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 10.80

Synonyms

• 72934-02-2
• Tricosal
• n-Tricosanal
• SCHEMBL371426
• DTXSID30223225
• IALIDHPAWNTXOK-UHFFFAOYSA-N
• F88766
• (5E)-3-Hydrazino-5H-indeno[2,1-E][1,2,4]triazin-5-one hydrazone

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
CHEMBL230	P35354	Cyclooxygenase-2	96.51%	89.63%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	95.17%	92.08%
CHEMBL2581	P07339	Cathepsin D	93.42%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	91.30%	97.29%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	91.25%	85.94%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	89.79%	92.86%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.28%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.57%	96.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.14%	89.34%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	83.61%	91.81%
CHEMBL2664	P23526	Adenosylhomocysteinase	82.42%	86.67%
CHEMBL3401	O75469	Pregnane X receptor	81.91%	94.73%
CHEMBL221	P23219	Cyclooxygenase-1	81.76%	90.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 155761
• LOTUS: LTS0086345
• wikiData: Q83101648