1,4-Di-(4-hydroxyphenyl)-2,3-butanediol

Details

• Internal ID: da5a736a-d1f9-4544-ba36-8186eba175c6
• Taxonomy: Lignans, neolignans and related compounds
• IUPAC Name: 1,4-bis(4-hydroxyphenyl)butane-2,3-diol
• InChI: InChI=1S/C16H18O4/c17-13-5-1-11(2-6-13)9-15(19)16(20)10-12-3-7-14(18)8-4-12/h1-8,15-20H,9-10H2
• InChI Key: HSXZRJJGRJUHLX-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₈O₄
• Molecular Weight: 274.31 g/mol
• Exact Mass: 274.12050905 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 2.20

Synonyms

• 1,4-Di-(4-hydroxyphenyl)-2,3-butanediol
• 150346-21-7
• 2,3-Butanediol, 1,4-bis(4-hydroxyphenyl)-, (R*,S*)-
• SCHEMBL450874
• DTXSID50933910
• 1,4-BIS(4-HYDROXYPHENYL)BUTANE-2,3-DIOL

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
CHEMBL2581	P07339	Cathepsin D	95.03%	98.95%
CHEMBL242	Q92731	Estrogen receptor beta	91.44%	98.35%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.86%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.16%	96.09%
CHEMBL301	P24941	Cyclin-dependent kinase 2	85.76%	91.23%
CHEMBL1944	P08473	Neprilysin	85.65%	92.63%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	83.92%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.09%	99.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44148327
• LOTUS: LTS0116312
• wikiData: Q82909738