Methyl 4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate

Details

• Internal ID: cab81d81-7d97-4ae7-b266-3361b604aacd
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
• IUPAC Name: methyl 4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenoate
• InChI: InChI=1S/C33H44O2/c1-27(2)15-11-18-30(5)21-13-23-31(6)22-12-19-28(3)16-9-10-17-29(4)20-14-24-32(7)25-26-33(34)35-8/h9-10,12-17,19-26H,11,18H2,1-8H3
• InChI Key: SLFLEAITCHGGJK-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₃H₄₄O₂
• Molecular Weight: 472.70 g/mol
• Exact Mass: 472.334130642 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 11.70

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
CHEMBL4040	P28482	MAP kinase ERK2	97.91%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.87%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.73%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.03%	99.17%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	88.00%	94.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.89%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.82%	96.95%
CHEMBL221	P23219	Cyclooxygenase-1	84.47%	90.17%
CHEMBL3401	O75469	Pregnane X receptor	83.78%	94.73%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.48%	89.34%
CHEMBL2581	P07339	Cathepsin D	82.52%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.68%	95.50%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	80.56%	92.08%

Plants that contains it

• Bixa orellana
• Shepherdia canadensis

Cross-Links

• PubChem: 162928688
• LOTUS: LTS0069654
• wikiData: Q105255274