(4-Hydroxy-2-methoxy-6-pentadecylphenyl) acetate

Details

• Internal ID: 40957e10-a1c4-4e16-ae6a-e3d9ec108c66
• Taxonomy: Benzenoids > Phenol esters
• IUPAC Name: (4-hydroxy-2-methoxy-6-pentadecylphenyl) acetate
• SMILES (Canonical): CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)OC)OC(=O)C
• SMILES (Isomeric): CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)OC)OC(=O)C
• InChI: InChI=1S/C24H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(26)19-23(27-3)24(21)28-20(2)25/h18-19,26H,4-17H2,1-3H3
• InChI Key: VURCCEKGTQCFKD-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₄₀O₄
• Molecular Weight: 392.60 g/mol
• Exact Mass: 392.29265975 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 9.10

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	98.13%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.40%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.08%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.15%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.31%	86.33%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.04%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.02%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.46%	94.45%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	84.01%	100.00%
CHEMBL2535	P11166	Glucose transporter	82.46%	98.75%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.19%	96.00%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.96%	92.62%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	80.60%	97.21%

Plants that contains it

• Ardisia brevicaulis

Cross-Links

• PubChem: 44606857
• LOTUS: LTS0115940
• wikiData: Q104997687