[2,8-Dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] acetate

Details

• Internal ID: c1138770-e8bf-4bb6-b3a8-b29d4f07f396
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin E compounds
• IUPAC Name: [2,8-dimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-yl] acetate
• InChI: InChI=1S/C29H42O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h11,13,15,19-20H,8-10,12,14,16-18H2,1-7H3
• InChI Key: LSPZGEMJFARJSN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₄₂O₃
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.31339520 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 8.70

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.49%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	96.19%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.80%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.98%	96.09%
CHEMBL2581	P07339	Cathepsin D	92.62%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.07%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.55%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	88.43%	92.08%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	86.12%	91.07%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.38%	89.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.89%	95.89%

Plants that contains it

• Iryanthera grandis

Cross-Links

• PubChem: 73070046
• LOTUS: LTS0133752
• wikiData: Q104171285