6,7-dimethoxy-4H-chromene

Details

• Internal ID: ecfb2517-0a17-43b4-86a1-a3af0e45e5b3
• Taxonomy: Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans
• IUPAC Name: 6,7-dimethoxy-4H-chromene
• SMILES (Canonical): COC1=C(C=C2C(=C1)CC=CO2)OC
• SMILES (Isomeric): COC1=C(C=C2C(=C1)CC=CO2)OC
• InChI: InChI=1S/C11H12O3/c1-12-10-6-8-4-3-5-14-9(8)7-11(10)13-2/h3,5-7H,4H2,1-2H3
• InChI Key: WITPYIVBOXNALK-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21 g/mol
• Exact Mass: 192.078644241 g/mol
• Topological Polar Surface Area (TPSA): 27.70 Ų
• XlogP: 2.30

Synonyms

• 162051-25-4
• 6,7-Dimethoxy-4H-1-benzopyran
• 4H-1-Benzopyran, 6,7-dimethoxy-
• SCHEMBL17186172
• DTXSID80464343

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.24%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.81%	92.94%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.79%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.37%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.63%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.34%	95.56%
CHEMBL4355	O14976	Serine/threonine-protein kinase GAK	81.84%	89.32%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.67%	93.99%
CHEMBL4208	P20618	Proteasome component C5	81.64%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.10%	99.17%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	80.74%	82.67%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	80.08%	82.38%

Plants that contains it

• Wisteria sinensis

Cross-Links

• PubChem: 11389905
• LOTUS: LTS0190365
• wikiData: Q82289631