CID 102476173

Details

• Internal ID: fddc4c6e-ede7-448c-acc4-883ae2aaf782
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 6-(1-hydroxyethyl)-4-methoxypyran-2-one
• InChI: InChI=1S/C8H10O4/c1-5(9)7-3-6(11-2)4-8(10)12-7/h3-5,9H,1-2H3
• InChI Key: ZNHXQNPNLZSOHO-UHFFFAOYSA-N
• Popularity: 0 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): 55.80 Ų
• XlogP: 0.00

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
CHEMBL2581	P07339	Cathepsin D	94.68%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.26%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	91.17%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.14%	95.56%
CHEMBL4208	P20618	Proteasome component C5	88.33%	90.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.17%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.12%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	84.61%	94.73%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	84.60%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.91%	86.33%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	83.80%	91.07%
CHEMBL1907	P15144	Aminopeptidase N	82.60%	93.31%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.47%	90.71%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.64%	90.24%
CHEMBL2535	P11166	Glucose transporter	81.51%	98.75%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.77%	99.17%

Plants that contains it

• Rhizophora mucronata

Cross-Links

• PubChem: 102476173
• LOTUS: LTS0073643
• wikiData: Q75069773