3,4,5-Trimethoxy-2-(1-methoxy-2-methylpropyl)phenol

Details

• Internal ID: 70bfbd24-4ea0-410f-8fc8-baa5fbcdc73e
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 3,4,5-trimethoxy-2-(1-methoxy-2-methylpropyl)phenol
• SMILES (Canonical): CC(C)C(C1=C(C(=C(C=C1O)OC)OC)OC)OC
• SMILES (Isomeric): CC(C)C(C1=C(C(=C(C=C1O)OC)OC)OC)OC
• InChI: InChI=1S/C14H22O5/c1-8(2)12(17-4)11-9(15)7-10(16-3)13(18-5)14(11)19-6/h7-8,12,15H,1-6H3
• InChI Key: NRAQAVITKFNEOG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₂O₅
• Molecular Weight: 270.32 g/mol
• Exact Mass: 270.14672380 g/mol
• Topological Polar Surface Area (TPSA): 57.20 Ų
• XlogP: 2.50

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.16%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.39%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	87.45%	99.15%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.07%	99.17%
CHEMBL2535	P11166	Glucose transporter	86.05%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.47%	94.45%
CHEMBL4208	P20618	Proteasome component C5	85.02%	90.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.72%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.66%	86.33%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	82.61%	89.62%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.18%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.73%	95.56%

Plants that contains it

• Helichrysum drakensbergense

Cross-Links

• PubChem: 162850076
• LOTUS: LTS0078421
• wikiData: Q105184249