2-(2'-Hydroxy-5'-methoxyphenyl)propane-1,3-diol

Details

• Internal ID: fcee9575-9ffb-4293-959c-37e94f093fb2
• Taxonomy: Benzenoids > Phenols > Methoxyphenols
• IUPAC Name: 2-(2-hydroxy-5-methoxyphenyl)propane-1,3-diol
• SMILES (Canonical): COC1=CC(=C(C=C1)O)C(CO)CO
• SMILES (Isomeric): COC1=CC(=C(C=C1)O)C(CO)CO
• InChI: InChI=1S/C10H14O4/c1-14-8-2-3-10(13)9(4-8)7(5-11)6-12/h2-4,7,11-13H,5-6H2,1H3
• InChI Key: JAFBMFMTLHPVLQ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.22 g/mol
• Exact Mass: 198.08920892 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: 0.20

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.71%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.28%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.21%	96.09%
CHEMBL4208	P20618	Proteasome component C5	91.18%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.84%	99.17%
CHEMBL4040	P28482	MAP kinase ERK2	89.60%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.28%	95.56%
CHEMBL2581	P07339	Cathepsin D	84.89%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.12%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.07%	94.00%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	82.04%	86.92%
CHEMBL1907	P15144	Aminopeptidase N	80.82%	93.31%

Plants that contains it

• Cotula coronopifolia

Cross-Links

• PubChem: 129882188
• LOTUS: LTS0140501
• wikiData: Q105123730