4-(3-Buten-1-yl)phenol

Details

• Internal ID: e97356f8-513e-47f0-a284-10431d6cbe71
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 4-but-3-enylphenol
• SMILES (Canonical): C=CCCC1=CC=C(C=C1)O
• SMILES (Isomeric): C=CCCC1=CC=C(C=C1)O
• InChI: InChI=1S/C10H12O/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8,11H,1,3-4H2
• InChI Key: IAZKGRRJAULWNS-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₂O
• Molecular Weight: 148.20 g/mol
• Exact Mass: 148.088815002 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 3.10

Synonyms

• 135981-59-8
• 4-but-3-enylphenol
• MFCD22413969
• 4-but-3-enyl-phenol
• SCHEMBL109430
• AC1840
• AKOS023683513
• CS-12297
• SY045828

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.01%	91.11%
CHEMBL242	Q92731	Estrogen receptor beta	91.70%	98.35%
CHEMBL2581	P07339	Cathepsin D	87.83%	98.95%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	85.94%	83.57%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.50%	94.45%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	84.62%	94.62%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.97%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.74%	96.09%

Plants that contains it

• Viburnum japonicum

Cross-Links

• PubChem: 15044572
• LOTUS: LTS0242675
• wikiData: Q105036379