Viscidone

Details

• Internal ID: 27307e64-a4fc-47f5-a59a-7bafb5774553
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Acetophenones
• IUPAC Name: 1-[(2R)-5-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-6-yl]ethanone
• InChI: InChI=1S/C13H14O4/c1-7(6-14)12-4-9-3-11(16)10(8(2)15)5-13(9)17-12/h3,5,12,14,16H,1,4,6H2,2H3/t12-/m1/s1
• InChI Key: BNKGDEQDLRZJFW-GFCCVEGCSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₄
• Molecular Weight: 234.25 g/mol
• Exact Mass: 234.08920892 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 1.90

Synonyms

• CHEMBL454991

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	98.30%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.48%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	86.60%	83.82%
CHEMBL2581	P07339	Cathepsin D	86.27%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	85.69%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.31%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.43%	96.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.43%	100.00%
CHEMBL340	P08684	Cytochrome P450 3A4	82.55%	91.19%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.15%	89.00%
CHEMBL217	P14416	Dopamine D2 receptor	80.55%	95.62%
CHEMBL1951	P21397	Monoamine oxidase A	80.18%	91.49%

Plants that contains it

• Heteroplexis microcephala
• Microglossa pyrifolia
• Miyamayomena koraiensis

Cross-Links

• PubChem: 44584263
• LOTUS: LTS0198178
• wikiData: Q104399498