4,4'-Dihydroxystilbene

Details

• Internal ID: 04d0ddc9-e26b-4805-8401-9ec8d316b86f
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
• SMILES (Canonical): C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)O
• SMILES (Isomeric): C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)O
• InChI: InChI=1S/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+
• InChI Key: XLAIWHIOIFKLEO-OWOJBTEDSA-N
• Popularity: 65 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂O₂
• Molecular Weight: 212.24 g/mol
• Exact Mass: 212.083729621 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.50

Synonyms

• 659-22-3
• p,p'-Dihydroxystilbene
• 4,4'-(ethene-1,2-diyl)diphenol
• 4,4'-Dioxystilbene
• Trans-4,4'-Dihydroxystilbene
• 4,4'-dihydroxy-trans-stilbene
• trans-4,4'-Stilbenediol
• 15058-36-3
• (E)-4,4'-Dihydroxystilbene
• 4,4'-Stilbenediol, (E)-
• Stilbene-4,4'-diol
• 4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
• 4,4'-dihydroxy stibene
• 4,4'-Stilbenediol
• 921UXX4IZL
• Phenol, 4,4'-(1E)-1,2-ethenediylbis-
• CHEMBL196731
• CHEBI:36012
• Phenol, 4,4'-(1,2-ethenediyl)bis-, (E)-
• 4,4'-(E)-ethene-1,2-diyldiphenol
• 4,4/'-(Z)-ETHENE-1,2-DIYLDIPHENOL
• UNII-6DRS5V9W5C
• UNII-921UXX4IZL
• NSC 4184
• EINECS 211-530-9
• (E)-4,4'-stilbenediol
• trans-stilbene-4,4'-diol
• 1,1-Dichloroheptan-2-one
• 6DRS5V9W5C
• BIDD:ER0188
• DTXSID7022465
• 4,4'-ethene-1,2-diyldiphenol
• CHEBI:34368
• NSC4184
• 4,4'-(1,2-ethenediyl)bisphenol
• Phenol,4'-(1,2-ethenediyl)bis-
• NSC-4184
• BDBM50410524
• LMPK13090018
• AKOS000278359
• (e)-4,4'-(ethene-1,2-diyl)diphenol
• 4,4'-[(1E)-ethene-1,2-diyl]diphenol
• 4-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenol
• Q27891518

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
CHEMBL242	Q92731	Estrogen receptor beta	95.66%	98.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.78%	91.11%
CHEMBL3194	P02766	Transthyretin	90.72%	90.71%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.72%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.02%	96.00%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	80.31%	91.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.06%	86.33%

Plants that contains it

• Yucca periculosa

Cross-Links

• PubChem: 5282363
• LOTUS: LTS0270450
• wikiData: Q27891518