6,10,14-Trimethyl-2-methylenepentadecanal

Details

• Internal ID: c25821aa-508e-4f62-b8c3-6e6683d2d757
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 6,10,14-trimethyl-2-methylidenepentadecanal
• SMILES (Canonical): CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O
• SMILES (Isomeric): CC(C)CCCC(C)CCCC(C)CCCC(=C)C=O
• InChI: InChI=1S/C19H36O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18H,5-14H2,1-4H3
• InChI Key: PTFJEDBJXCZCDO-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₆O
• Molecular Weight: 280.50 g/mol
• Exact Mass: 280.276615768 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 7.80

Synonyms

• SCHEMBL7566080
• DTXSID101270481
• 2-methylidene-6,10,14-trimethylpentadecanal
• 6,10,14-trimethyl-2-methylidenepentadecanal
• 83725-57-9

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
CHEMBL2581	P07339	Cathepsin D	91.16%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.10%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.49%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	86.13%	97.29%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.35%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.06%	95.56%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.37%	89.34%
CHEMBL3401	O75469	Pregnane X receptor	81.35%	94.73%
CHEMBL1951	P21397	Monoamine oxidase A	80.64%	91.49%
CHEMBL1907	P15144	Aminopeptidase N	80.62%	93.31%
CHEMBL3359	P21462	Formyl peptide receptor 1	80.45%	93.56%

Plants that contains it

• Tetragonia tetragonoides

Cross-Links

• PubChem: 23286475
• LOTUS: LTS0205267
• wikiData: Q105214610