2-Methoxy-5-(hydroxymethyl)resorcinol

Details

• Internal ID: 6cc88052-8723-416b-9de0-ad05e51bc3da
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 5-(hydroxymethyl)-2-methoxybenzene-1,3-diol
• SMILES (Canonical): COC1=C(C=C(C=C1O)CO)O
• SMILES (Isomeric): COC1=C(C=C(C=C1O)CO)O
• InChI: InChI=1S/C8H10O4/c1-12-8-6(10)2-5(4-9)3-7(8)11/h2-3,9-11H,4H2,1H3
• InChI Key: CCZSPEMGEIWYHD-UHFFFAOYSA-N
• Popularity: 8 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₁₀O₄
• Molecular Weight: 170.16 g/mol
• Exact Mass: 170.05790880 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: 0.30

Synonyms

• 2-Methoxy-5-(hydroxymethyl)resorcinol
• SCHEMBL11896174
• CCZSPEMGEIWYHD-UHFFFAOYSA-N
• 3,5-dihydroxy-4-methoxybenzyl alcohol

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	95.02%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.60%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.78%	99.17%
CHEMBL2581	P07339	Cathepsin D	85.31%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.56%	94.45%
CHEMBL4208	P20618	Proteasome component C5	84.14%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.11%	94.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.80%	93.99%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	82.33%	96.95%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 16097842
• LOTUS: LTS0137945
• wikiData: Q104953986