4-(4-Hydroxybut-1-enyl)-2-methoxyphenol

Details

• Internal ID: 7ca1aab5-1ddd-4cda-9917-693b1b4d9ab7
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4-(4-hydroxybut-1-enyl)-2-methoxyphenol
• SMILES (Canonical): COC1=C(C=CC(=C1)C=CCCO)O
• SMILES (Isomeric): COC1=C(C=CC(=C1)C=CCCO)O
• InChI: InChI=1S/C11H14O3/c1-14-11-8-9(4-2-3-7-12)5-6-10(11)13/h2,4-6,8,12-13H,3,7H2,1H3
• InChI Key: MIJXQWQIPFIVQE-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23 g/mol
• Exact Mass: 194.094294304 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 1.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.62%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.13%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.30%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.55%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	92.19%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.45%	95.56%
CHEMBL3194	P02766	Transthyretin	89.46%	90.71%
CHEMBL1951	P21397	Monoamine oxidase A	88.73%	91.49%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	87.99%	89.62%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	83.71%	91.71%
CHEMBL4208	P20618	Proteasome component C5	83.52%	90.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	81.23%	99.15%

Plants that contains it

• Zingiber montanum

Cross-Links

• PubChem: 162842014
• LOTUS: LTS0177974
• wikiData: Q105164903