Benzyl 2-hydroxy-5-(4-hydroxy-2,5-dimethoxy-3-phenylmethoxycarbonylphenyl)-3,6-dimethoxybenzoate

Details

• Internal ID: ad5d4f0c-565d-453d-b6d4-975c6ab1590b
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Biphenols
• IUPAC Name: benzyl 2-hydroxy-5-(4-hydroxy-2,5-dimethoxy-3-phenylmethoxycarbonylphenyl)-3,6-dimethoxybenzoate
• InChI: InChI=1S/C32H30O10/c1-37-23-15-21(29(39-3)25(27(23)33)31(35)41-17-19-11-7-5-8-12-19)22-16-24(38-2)28(34)26(30(22)40-4)32(36)42-18-20-13-9-6-10-14-20/h5-16,33-34H,17-18H2,1-4H3
• InChI Key: YBWNMPUHWSZVNY-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₂H₃₀O₁₀
• Molecular Weight: 574.60 g/mol
• Exact Mass: 574.18389715 g/mol
• Topological Polar Surface Area (TPSA): 130.00 Ų
• XlogP: 6.50

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	96.76%	96.09%
CHEMBL2581	P07339	Cathepsin D	95.18%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.53%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.29%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.80%	95.56%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	91.06%	95.50%
CHEMBL2535	P11166	Glucose transporter	87.60%	98.75%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.38%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.02%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	83.24%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.26%	96.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.48%	99.15%

Plants that contains it

• Cassia fistula

Cross-Links

• PubChem: 162971728
• LOTUS: LTS0084533
• wikiData: Q105346089