7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-methylethenyl)-

Details

• Internal ID: c09d488e-d172-49d1-b7e1-9813cf771fba
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens
• IUPAC Name: 2-prop-1-en-2-ylfuro[3,2-g]chromen-7-one
• InChI: InChI=1S/C14H10O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-7H,1H2,2H3
• InChI Key: ILVSRSSJBQSUJM-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₀O₃
• Molecular Weight: 226.23 g/mol
• Exact Mass: 226.062994177 g/mol
• Topological Polar Surface Area (TPSA): 39.40 Ų
• XlogP: 3.70

Synonyms

• 7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-methylethenyl)-
• 2-Isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
• 2-(1-Methylethenyl)-7H-furo(3,2-g)(1)benzopyran-7-one
• Arnocoumarin
• DTXSID00149226
• 2-Isopropenyl-furo[3,2-g]chromen-7-one
• E87093

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	93.62%	91.11%
CHEMBL2581	P07339	Cathepsin D	92.76%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.59%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	88.35%	94.73%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.32%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.94%	95.56%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	81.01%	83.57%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	81.00%	93.65%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.46%	90.24%

Plants that contains it

• Kitagawia praeruptora

Cross-Links

• PubChem: 44147996
• LOTUS: LTS0134492
• wikiData: Q83014959