(2Z,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal

Details

• Internal ID: f5f15b2b-3c0e-479b-9775-ad318b56db20
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids
• IUPAC Name: (2Z,6E,10E)-3,7,11,15-tetramethyl-13-oxohexadeca-2,6,10,14-tetraenal
• InChI: InChI=1S/C20H30O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-14H,6-7,9-10,15H2,1-5H3/b17-8+,18-12-,19-11+
• InChI Key: GZUWIUZECLXLRW-IOBQTAGVSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₂
• Molecular Weight: 302.50 g/mol
• Exact Mass: 302.224580195 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 5.60

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	92.31%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.73%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	87.42%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	85.01%	89.34%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	84.83%	94.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.29%	91.11%
CHEMBL2581	P07339	Cathepsin D	81.73%	98.95%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	80.57%	92.08%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.36%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11023060
• LOTUS: LTS0125767
• wikiData: Q105024645