2,6-Dimethyl-10-methylidenedodeca-2,6,11-trienal

Details

• Internal ID: 872095bb-43de-4465-81d2-34d3b189aef9
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
• SMILES (Canonical): CC(=CCCC(=C)C=C)CCC=C(C)C=O
• SMILES (Isomeric): CC(=CCCC(=C)C=C)CCC=C(C)C=O
• InChI: InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3
• InChI Key: NOPLRNXKHZRXHT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.33 g/mol
• Exact Mass: 218.167065321 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 4.80

Synonyms

• 8028-48-6
• DTXSID0069383
• FT-0622938
• FT-0623979
• 8008-57-9

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.33%	96.09%
CHEMBL4246	P42680	Tyrosine-protein kinase TEC	86.55%	82.05%
CHEMBL1829	O15379	Histone deacetylase 3	84.15%	95.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.02%	99.17%
CHEMBL2581	P07339	Cathepsin D	83.34%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.30%	91.11%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.31%	89.34%
CHEMBL4040	P28482	MAP kinase ERK2	82.01%	83.82%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.39%	90.24%

Plants that contains it

• Astrantia major

Cross-Links

• PubChem: 62161
• LOTUS: LTS0179788
• wikiData: Q81996249