7-Methoxy-2-(2-methoxyphenoxy)-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran

Details

• Internal ID: 908eb057-fa0a-4053-9f5a-b4085bdf575f
• Taxonomy: Organoheterocyclic compounds > Coumarans
• IUPAC Name: 7-methoxy-2-(2-methoxyphenoxy)-3-methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran
• InChI: InChI=1S/C20H22O4/c1-5-8-14-11-15-13(2)20(24-19(15)18(12-14)22-4)23-17-10-7-6-9-16(17)21-3/h5-13,20H,1-4H3
• InChI Key: PEGLZRLHZCPVDH-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₄
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.15180918 g/mol
• Topological Polar Surface Area (TPSA): 36.90 Ų
• XlogP: 5.00

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.57%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.72%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.58%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	92.44%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.47%	96.09%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	89.99%	97.14%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	87.49%	89.62%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.71%	89.00%
CHEMBL5939	Q9NZ08	Endoplasmic reticulum aminopeptidase 1	82.99%	100.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	82.56%	94.03%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.30%	93.99%

Plants that contains it

• Urbanodendron verrucosum

Cross-Links

• PubChem: 162893030
• LOTUS: LTS0106851
• wikiData: Q105207105