Derriobtusone A

Details

• Internal ID: aeb9f1ca-0051-4f96-ad83-2be0cc2d4678
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Aryl-phenylketones
• IUPAC Name: (3-methoxyfuro[2,3-e][1]benzofuran-2-yl)-phenylmethanone
• InChI: InChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3
• InChI Key: IOMYTSYGOQQBAH-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₂O₄
• Molecular Weight: 292.30 g/mol
• Exact Mass: 292.07355886 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 4.40

Synonyms

• CHEBI:196233
• LMPK12130059
• (3-methoxyuro[2,3-e][1]benzouran-2-yl)-phenylmethanone

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	94.04%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	93.76%	99.23%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.49%	86.33%
CHEMBL2535	P11166	Glucose transporter	89.67%	98.75%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.67%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.05%	99.17%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.73%	95.50%
CHEMBL2581	P07339	Cathepsin D	83.66%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	81.16%	96.00%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.05%	94.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 42607786
• LOTUS: LTS0080283
• wikiData: Q105116773