4-Hydroxy-3,5-dimethoxybenzyl alcohol

Details

• Internal ID: 875a2d3c-94b2-4579-978a-3b516e8684e1
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 4-(hydroxymethyl)-2,6-dimethoxyphenol
• SMILES (Canonical): COC1=CC(=CC(=C1O)OC)CO
• SMILES (Isomeric): COC1=CC(=CC(=C1O)OC)CO
• InChI: InChI=1S/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H3
• InChI Key: LUOAEJWSKPQLJD-UHFFFAOYSA-N
• Popularity: 72 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₂O₄
• Molecular Weight: 184.19 g/mol
• Exact Mass: 184.07355886 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 0.60

Synonyms

• 530-56-3
• Syringyl alcohol
• syringic alcohol
• 4-(Hydroxymethyl)-2,6-dimethoxyphenol
• 3,5-Dimethoxy-4-hydroxybenzyl alcohol
• Benzenemethanol, 4-hydroxy-3,5-dimethoxy-
• 2,6-dimethoxy-4-(hydroxymethyl)phenol
• K7G66I59XC
• 4-(hydroxymethyl)-2,6-dimethoxy-phenol
• UNII-K7G66I59XC
• EINECS 208-485-2
• SBB058585
• 3,5-DIMETHOXY-4-HYDROXYBENZYLALCOHOL
• bmse010007
• SCHEMBL1067240
• CHEBI:86948
• DTXSID00201050
• HY-N6654
• MFCD00016871
• s4942
• 3,5-dimethoxy-4-hydroxy-benzylalcohol
• AKOS009159361
• CCG-266464
• AS-81451
• 4-(Hydroxymethyl)-2,6-dimethoxyphenol #
• CS-0083210
• FT-0618632
• 4-HYDROXY-3,5-DIMETHOXYBENZENEMETHANOL
• EN300-1837509
• A829373
• Q2376479
• (Z)-2-Methoxy-5-(2-(7-methoxybenzo[d][1,3]dioxol-5-yl)vinyl)aniline
• InChI=1/C9H12O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-4,10-11H,5H2,1-2H

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.09%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.60%	91.11%
CHEMBL2581	P07339	Cathepsin D	89.14%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.69%	99.17%
CHEMBL1255126	O15151	Protein Mdm4	86.05%	90.20%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.80%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	82.26%	85.14%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.26%	94.45%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.76%	92.62%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.58%	94.00%

Plants that contains it

• Morus cathayana

Cross-Links

• PubChem: 10741
• LOTUS: LTS0199426
• wikiData: Q2376479