2,3-Bis(4-acetyloxy-3-methoxyphenyl)propyl acetate

Details

• Internal ID: 09ab6c6d-1bc4-426a-9ba1-d19300a79c7d
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 2,3-bis(4-acetyloxy-3-methoxyphenyl)propyl acetate
• SMILES (Canonical): CC(=O)OCC(CC1=CC(=C(C=C1)OC(=O)C)OC)C2=CC(=C(C=C2)OC(=O)C)OC
• SMILES (Isomeric): CC(=O)OCC(CC1=CC(=C(C=C1)OC(=O)C)OC)C2=CC(=C(C=C2)OC(=O)C)OC
• InChI: InChI=1S/C23H26O8/c1-14(24)29-13-19(18-7-9-21(31-16(3)26)23(12-18)28-5)10-17-6-8-20(30-15(2)25)22(11-17)27-4/h6-9,11-12,19H,10,13H2,1-5H3
• InChI Key: LMPYFOIPMHSEQD-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₆O₈
• Molecular Weight: 430.40 g/mol
• Exact Mass: 430.16276778 g/mol
• Topological Polar Surface Area (TPSA): 97.40 Ų
• XlogP: 3.30

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	97.89%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.79%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.48%	94.45%
CHEMBL1255126	O15151	Protein Mdm4	93.07%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.84%	99.17%
CHEMBL2535	P11166	Glucose transporter	91.71%	98.75%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.14%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.48%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.16%	96.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.08%	95.50%
CHEMBL4208	P20618	Proteasome component C5	84.81%	90.00%
CHEMBL2413	P32246	C-C chemokine receptor type 1	80.66%	89.50%

Plants that contains it

• Pinus taeda

Cross-Links

• PubChem: 101932963
• LOTUS: LTS0136839
• wikiData: Q105154110