8,9-Dihydrofuro[2,3-h]chromen-2-one

Details

• Internal ID: 6fa3c1a6-8587-43e5-9907-8857728f82c9
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins
• IUPAC Name: 8,9-dihydrofuro[2,3-h]chromen-2-one
• SMILES (Canonical): C1COC2=C1C3=C(C=C2)C=CC(=O)O3
• SMILES (Isomeric): C1COC2=C1C3=C(C=C2)C=CC(=O)O3
• InChI: InChI=1S/C11H8O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-4H,5-6H2
• InChI Key: HXXQWWUDTDIDIR-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₈O₃
• Molecular Weight: 188.18 g/mol
• Exact Mass: 188.047344113 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 1.90

Synonyms

• SCHEMBL5848282
• DTXSID401253868
• 8,9-dihydrofuro[2,3-h]chromen-2-one
• 8,9-Dihydro-2H-furo[2,3-h]-1-benzopyran-2-one
• 51559-40-1

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
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	90.06%	85.30%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.12%	95.56%
CHEMBL2581	P07339	Cathepsin D	88.43%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.42%	94.45%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	87.99%	93.40%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.76%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.30%	99.23%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	80.34%	92.26%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.00%	94.00%

Plants that contains it

• Citrus trifoliata

Cross-Links

• PubChem: 18353375
• LOTUS: LTS0210452
• wikiData: Q105035191