Aspergisocoumrin A

Details

• Internal ID: 149b547d-919b-41ad-a166-231df66b4603
• Taxonomy: Phenylpropanoids and polyketides > Isocoumarins and derivatives
• IUPAC Name: methyl (E)-3-(8-hydroxy-6-methoxy-1-oxoisochromen-3-yl)prop-2-enoate
• InChI: InChI=1S/C14H12O6/c1-18-10-6-8-5-9(3-4-12(16)19-2)20-14(17)13(8)11(15)7-10/h3-7,15H,1-2H3/b4-3+
• InChI Key: GAMOYIMNWMTRPU-ONEGZZNKSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂O₆
• Molecular Weight: 276.24 g/mol
• Exact Mass: 276.06338810 g/mol
• Topological Polar Surface Area (TPSA): 82.10 Ų
• XlogP: 2.40

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	98.87%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.85%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.55%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.58%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	89.09%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.34%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	87.59%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.50%	85.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.40%	99.23%
CHEMBL4208	P20618	Proteasome component C5	85.19%	90.00%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.04%	91.07%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.50%	89.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	81.04%	94.42%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683585
• LOTUS: LTS0134766
• wikiData: Q105005478