2-Tridecylheptadec-2-enal

Details

• Internal ID: 5a8a7659-4584-4ce4-8048-115d7dc4c1d7
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
• IUPAC Name: 2-tridecylheptadec-2-enal
• SMILES (Canonical): CCCCCCCCCCCCCCC=C(CCCCCCCCCCCCC)C=O
• SMILES (Isomeric): CCCCCCCCCCCCCCC=C(CCCCCCCCCCCCC)C=O
• InChI: InChI=1S/C30H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-30(29-31)27-25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3
• InChI Key: WPASVKPMONFFCM-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₅₈O
• Molecular Weight: 434.80 g/mol
• Exact Mass: 434.448766469 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 14.20

Synonyms

• 112642-50-9
• 2-tridecyl-2-heptadecenal
• DTXSID00764433

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	96.07%	92.08%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.88%	99.17%
CHEMBL230	P35354	Cyclooxygenase-2	93.71%	89.63%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	90.52%	85.94%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.45%	97.29%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	89.44%	92.86%
CHEMBL2581	P07339	Cathepsin D	87.32%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	85.58%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.75%	89.34%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	81.64%	91.81%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.09%	95.56%

Plants that contains it

• Uncaria sinensis

Cross-Links

• PubChem: 71336637
• LOTUS: LTS0190224
• wikiData: Q105282852