Verimol J

Details

• Internal ID: 2f5e88f5-c7da-4497-b7bf-230f4af5f25f
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 2-(2-hydroxypropyl)-5-methoxyphenol
• SMILES (Canonical): CC(CC1=C(C=C(C=C1)OC)O)O
• SMILES (Isomeric): CC(CC1=C(C=C(C=C1)OC)O)O
• InChI: InChI=1S/C10H14O3/c1-7(11)5-8-3-4-9(13-2)6-10(8)12/h3-4,6-7,11-12H,5H2,1-2H3
• InChI Key: JHAZVELQNMEUTR-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₃
• Molecular Weight: 182.22 g/mol
• Exact Mass: 182.094294304 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 1.70

Synonyms

• 2-(2-hydroxypropyl)-5-methoxyphenol
• CHEBI:179567
• DTXSID001252620
• 212516-43-3
• 1-(2-Hydroxy-4-methoxyphenyl)-2-propanol
• EN300-1840257
• Benzeneethanol, 2-hydroxy-4-methoxy-alpha-methyl-
• 82700-27-4

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	96.72%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.67%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.38%	99.15%
CHEMBL2581	P07339	Cathepsin D	94.57%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.32%	95.56%
CHEMBL4208	P20618	Proteasome component C5	90.24%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.95%	85.14%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.87%	96.00%
CHEMBL3401	O75469	Pregnane X receptor	85.18%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.96%	99.17%
CHEMBL2535	P11166	Glucose transporter	84.86%	98.75%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.09%	94.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.76%	95.89%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.55%	90.24%
CHEMBL4581	P52732	Kinesin-like protein 1	81.22%	93.18%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.17%	93.99%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.44%	92.62%

Plants that contains it

• Illicium verum

Cross-Links

• PubChem: 10655013
• LOTUS: LTS0112219
• wikiData: Q105127840