6,8-Dimethoxy-7-hydroxy-methyl-isocoumarin

Details

• Internal ID: 39429687-189e-4fb7-aebb-7e18d9d0ea95
• Taxonomy: Phenylpropanoids and polyketides > Isocoumarins and derivatives
• IUPAC Name: 7-hydroxy-6,8-dimethoxy-3-methylisochromen-1-one
• InChI: InChI=1S/C12H12O5/c1-6-4-7-5-8(15-2)10(13)11(16-3)9(7)12(14)17-6/h4-5,13H,1-3H3
• InChI Key: VHXLSWQQDYCVJP-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂O₅
• Molecular Weight: 236.22 g/mol
• Exact Mass: 236.06847348 g/mol
• Topological Polar Surface Area (TPSA): 65.00 Ų
• XlogP: 1.90

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	96.57%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.05%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.16%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.07%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.28%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	85.84%	94.73%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.14%	99.17%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	83.57%	94.42%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.11%	99.23%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.71%	89.00%
CHEMBL2581	P07339	Cathepsin D	80.58%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.01%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 129882739
• LOTUS: LTS0143811
• wikiData: Q105286676