2-[2-Hydroxy-5-(3-hydroxypropyl)-3-methoxyphenyl]-4-(3-hydroxypropyl)-6-methoxyphenol

Details

• Internal ID: 70eb99a0-20df-4b4b-9a22-54aefa077edb
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives
• IUPAC Name: 2-[2-hydroxy-5-(3-hydroxypropyl)-3-methoxyphenyl]-4-(3-hydroxypropyl)-6-methoxyphenol
• InChI: InChI=1S/C20H26O6/c1-25-17-11-13(5-3-7-21)9-15(19(17)23)16-10-14(6-4-8-22)12-18(26-2)20(16)24/h9-12,21-24H,3-8H2,1-2H3
• InChI Key: WWCXWQKUYMDYSQ-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₆O₆
• Molecular Weight: 362.40 g/mol
• Exact Mass: 362.17293854 g/mol
• Topological Polar Surface Area (TPSA): 99.40 Ų
• XlogP: 2.60

Synonyms

• BDBM50462629
• SR-01000500270
• SR-01000500270-1

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL6154	Q9H2K2	Tankyrase-2	18.5 nM	Kd	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.74%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.14%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.58%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.12%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.27%	86.33%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	85.39%	95.17%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	84.29%	86.92%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 40481541
• LOTUS: LTS0080605
• wikiData: Q105313929