3,5-Dimethoxyphenol

Details

• Internal ID: 0d11eb53-11e3-47dc-9dff-bc95fc2d2072
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 3,5-dimethoxyphenol
• SMILES (Canonical): COC1=CC(=CC(=C1)O)OC
• SMILES (Isomeric): COC1=CC(=CC(=C1)O)OC
• InChI: InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3
• InChI Key: XQDNFAMOIPNVES-UHFFFAOYSA-N
• Popularity: 152 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₀O₃
• Molecular Weight: 154.16 g/mol
• Exact Mass: 154.062994177 g/mol
• Topological Polar Surface Area (TPSA): 38.70 Ų
• XlogP: 1.60

Synonyms

• 500-99-2
• Taxicatigenin
• Phloroglucinol dimethyl ether
• Phenol, 3,5-dimethoxy-
• 1-Hydroxy-3,5-dimethoxybenzene
• MFCD00008388
• CHEBI:88715
• 23UXW8136A
• NSC-70955
• 3,5-dimethoxy phenol
• UNII-23UXW8136A
• EINECS 207-917-7
• NSC 70955
• Phenol,5-dimethoxy-
• 3,5-dimethoxy-phenol
• 3,5-Dimethoxyphenol, 99%
• SCHEMBL233829
• CHEMBL462989
• DTXSID7075426
• HMS1715K12
• NSC70955
• STR06179
• s6071
• AKOS000121581
• AM83169
• CS-W001117
• HY-W001117
• AC-11324
• SY035504
• FT-0614645
• P0320
• EN300-16614
• F17066
• A827974
• W-105986
• Q27160623
• Z56347218
• F0001-1304
• InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H

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	95.00%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.35%	96.09%
CHEMBL4208	P20618	Proteasome component C5	87.08%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.26%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.98%	99.17%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	82.79%	99.15%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	81.85%	92.68%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.84%	86.33%
CHEMBL2581	P07339	Cathepsin D	81.04%	98.95%
CHEMBL2535	P11166	Glucose transporter	80.18%	98.75%

Plants that contains it

• Taxus baccata

Cross-Links

• PubChem: 10383
• LOTUS: LTS0101826
• wikiData: Q27160623