4-[5-(4-Hydroxyphenyl)penta-1,4-dienyl]phenol

Details

• Internal ID: 35cac20b-7891-4e71-9331-d2406d65f367
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: 4-[5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
• SMILES (Canonical): C1=CC(=CC=C1C=CCC=CC2=CC=C(C=C2)O)O
• SMILES (Isomeric): C1=CC(=CC=C1C=CCC=CC2=CC=C(C=C2)O)O
• InChI: InChI=1S/C17H16O2/c18-16-10-6-14(7-11-16)4-2-1-3-5-15-8-12-17(19)13-9-15/h2-13,18-19H,1H2
• InChI Key: YAICIVXHPPILRT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₂
• Molecular Weight: 252.31 g/mol
• Exact Mass: 252.115029749 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.40

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
CHEMBL242	Q92731	Estrogen receptor beta	93.91%	98.35%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	92.43%	91.71%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.38%	91.11%
CHEMBL3194	P02766	Transthyretin	86.59%	90.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.87%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.34%	86.33%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.04%	90.93%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.32%	95.56%

Plants that contains it

• Ginkgo biloba

Cross-Links

• PubChem: 85901230
• LOTUS: LTS0248728
• wikiData: Q105345402