5,6,7,8-Tetramethoxycoumarin

Details

• Internal ID: 813b67b8-1d1f-4f14-8052-3f7196883d47
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives
• IUPAC Name: 5,6,7,8-tetramethoxychromen-2-one
• SMILES (Canonical): COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
• SMILES (Isomeric): COC1=C(C(=C(C2=C1C=CC(=O)O2)OC)OC)OC
• InChI: InChI=1S/C13H14O6/c1-15-9-7-5-6-8(14)19-10(7)12(17-3)13(18-4)11(9)16-2/h5-6H,1-4H3
• InChI Key: FEGDYUCKOYJQOZ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25 g/mol
• Exact Mass: 266.07903816 g/mol
• Topological Polar Surface Area (TPSA): 63.20 Ų
• XlogP: 1.80

Synonyms

• 56317-15-8
• 5,6,7,8-tetramethoxychromen-2-one
• SCHEMBL17047859
• DTXSID60204860
• AKOS022184743
• FS-10015

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	92.80%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.28%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.58%	94.45%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.18%	94.00%
CHEMBL2581	P07339	Cathepsin D	87.91%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.51%	99.23%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	80.08%	85.30%

Plants that contains it

• Ailanthus altissima
• Pelargonium sidoides
• Platypodium elegans

Cross-Links

• PubChem: 151319
• LOTUS: LTS0063602
• wikiData: Q72507441