3,6-Dimethoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

Details

• Internal ID: dc0f9785-3539-45c9-8750-d1dc9de0a25c
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 3,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
• InChI: InChI=1S/C17H16O5/c1-8(2)15-17(21-4)12-13(18)11-7-9(20-3)5-6-10(11)14(19)16(12)22-15/h5-7,15,17H,1H2,2-4H3
• InChI Key: BMVQVFZWBZFZQG-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₅
• Molecular Weight: 300.30 g/mol
• Exact Mass: 300.09977361 g/mol
• Topological Polar Surface Area (TPSA): 61.80 Ų
• XlogP: 2.40

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
CHEMBL1951	P21397	Monoamine oxidase A	98.72%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.68%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.89%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	91.72%	94.73%
CHEMBL1907	P15144	Aminopeptidase N	87.51%	93.31%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.11%	94.00%
CHEMBL2039	P27338	Monoamine oxidase B	85.44%	92.51%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.23%	95.89%
CHEMBL2581	P07339	Cathepsin D	85.15%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.03%	86.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.54%	95.89%
CHEMBL340	P08684	Cytochrome P450 3A4	82.20%	91.19%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	82.19%	94.80%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.51%	96.09%

Plants that contains it

• Radermachera sinica

Cross-Links

• PubChem: 162849251
• LOTUS: LTS0177783
• wikiData: Q104938610