7,7'-Dimethoxy-8,8'-bicoumarin

Details

• Internal ID: 72ef9ba6-d3ef-4d7b-8f87-4133570e3126
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives
• IUPAC Name: 7-methoxy-8-(7-methoxy-2-oxochromen-8-yl)chromen-2-one
• SMILES (Canonical): COC1=C(C2=C(C=C1)C=CC(=O)O2)C3=C(C=CC4=C3OC(=O)C=C4)OC
• SMILES (Isomeric): COC1=C(C2=C(C=C1)C=CC(=O)O2)C3=C(C=CC4=C3OC(=O)C=C4)OC
• InChI: InChI=1S/C20H14O6/c1-23-13-7-3-11-5-9-15(21)25-19(11)17(13)18-14(24-2)8-4-12-6-10-16(22)26-20(12)18/h3-10H,1-2H3
• InChI Key: IOLIWNMGVYEBIW-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₄O₆
• Molecular Weight: 350.30 g/mol
• Exact Mass: 350.07903816 g/mol
• Topological Polar Surface Area (TPSA): 71.10 Ų
• XlogP: 3.50

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.00%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.60%	95.56%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	87.23%	94.03%
CHEMBL2581	P07339	Cathepsin D	84.94%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.10%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.23%	94.45%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.35%	96.00%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	81.10%	85.30%
CHEMBL1255126	O15151	Protein Mdm4	80.70%	90.20%
CHEMBL1293249	Q13887	Kruppel-like factor 5	80.61%	86.33%

Plants that contains it

• Boenninghausenia albiflora

Cross-Links

• PubChem: 14282779
• LOTUS: LTS0112890
• wikiData: Q105116752