4-Methoxy-3-(3-methylbut-3-en-1-yn-1-yl)phenol

Details

• Internal ID: 6234e071-6e06-49c0-a383-8d1a65ee7431
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4-methoxy-3-(3-methylbut-3-en-1-ynyl)phenol
• InChI: InChI=1S/C12H12O2/c1-9(2)4-5-10-8-11(13)6-7-12(10)14-3/h6-8,13H,1H2,2-3H3
• InChI Key: KVDHAFPAVZRZON-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂O₂
• Molecular Weight: 188.22 g/mol
• Exact Mass: 188.083729621 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 3.30

Synonyms

• 406480-65-7
• 4-Methoxy-3-(3-methylbut-3-en-1-yn-1-yl)phenol
• DTXSID30785712

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.48%	96.09%
CHEMBL1255126	O15151	Protein Mdm4	90.81%	90.20%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.64%	91.11%
CHEMBL2535	P11166	Glucose transporter	89.19%	98.75%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.19%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.94%	99.17%
CHEMBL2581	P07339	Cathepsin D	84.71%	98.95%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.87%	95.89%
CHEMBL4208	P20618	Proteasome component C5	80.89%	90.00%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	80.04%	89.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71362073
• LOTUS: LTS0193925
• wikiData: Q77374530