2,31-Dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one

Details

• Internal ID: b30341be-d482-478c-8927-6e4e6a1b7089
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls
• IUPAC Name: 2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one
• InChI: InChI=1S/C42H60O3/c1-34(22-15-24-36(3)25-17-27-38(5)29-19-32-41(7,8)44-11)20-13-14-21-35(2)23-16-26-37(4)28-18-30-39(6)40(43)31-33-42(9,10)45-12/h13-30H,31-33H2,1-12H3
• InChI Key: KSAQIRSWZGLSET-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₆₀O₃
• Molecular Weight: 612.90 g/mol
• Exact Mass: 612.45424577 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 12.50

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	94.36%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.31%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.24%	91.11%
CHEMBL2581	P07339	Cathepsin D	88.17%	98.95%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.05%	96.95%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	84.67%	89.34%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.17%	86.33%
CHEMBL1870	P28702	Retinoid X receptor beta	81.26%	95.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162920425
• LOTUS: LTS0223563
• wikiData: Q105145330