2,3-Bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal

Details

• Internal ID: 56f8fb3f-a128-42f0-82a4-dafba414a0a5
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 2,3-bis(7-methoxy-2-oxochromen-8-yl)prop-2-enal
• SMILES (Canonical): COC1=C(C2=C(C=C1)C=CC(=O)O2)C=C(C=O)C3=C(C=CC4=C3OC(=O)C=C4)OC
• SMILES (Isomeric): COC1=C(C2=C(C=C1)C=CC(=O)O2)C=C(C=O)C3=C(C=CC4=C3OC(=O)C=C4)OC
• InChI: InChI=1S/C23H16O7/c1-27-17-7-3-13-5-9-19(25)29-22(13)16(17)11-15(12-24)21-18(28-2)8-4-14-6-10-20(26)30-23(14)21/h3-12H,1-2H3
• InChI Key: SXMLKPWAEMEUQE-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₁₆O₇
• Molecular Weight: 404.40 g/mol
• Exact Mass: 404.08960285 g/mol
• Topological Polar Surface Area (TPSA): 88.10 Ų
• XlogP: 3.40

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.26%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.19%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	87.69%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.82%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.27%	94.45%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.44%	90.24%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.18%	86.33%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	81.50%	85.30%

Plants that contains it

• Cnidium monnieri

Cross-Links

• PubChem: 85199541
• LOTUS: LTS0234514
• wikiData: Q105263201