1,2-Bis(3-hydroxyphenyl)ethane

Details

• Internal ID: 06dda49b-a42b-4cb0-af0a-9fab07ddade1
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 3-[2-(3-hydroxyphenyl)ethyl]phenol
• SMILES (Canonical): C1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O
• SMILES (Isomeric): C1=CC(=CC(=C1)O)CCC2=CC(=CC=C2)O
• InChI: InChI=1S/C14H14O2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10,15-16H,7-8H2
• InChI Key: VCFHBYUCPLPFMM-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₄O₂
• Molecular Weight: 214.26 g/mol
• Exact Mass: 214.099379685 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.40

Synonyms

• 70709-67-0
• SCHEMBL723832
• CHEMBL1795379
• DTXSID10404035
• VCFHBYUCPLPFMM-UHFFFAOYSA-N
• AKOS024322605
• 3,3'-(ETHANE-1,2-DIYL)DIPHENOL

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	94.38%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.01%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.86%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.90%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.02%	96.09%
CHEMBL2535	P11166	Glucose transporter	83.08%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.95%	99.17%

Plants that contains it

• Senna garrettiana

Cross-Links

• PubChem: 4535180
• LOTUS: LTS0190240
• wikiData: Q82207992