4,9-Dimethoxy-naphtho[2,3-b]furan

Details

• Internal ID: 5b04a2fa-7689-4e42-b728-e257673bc127
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 4,9-dimethoxybenzo[f][1]benzofuran
• SMILES (Canonical): COC1=C2C=COC2=C(C3=CC=CC=C31)OC
• SMILES (Isomeric): COC1=C2C=COC2=C(C3=CC=CC=C31)OC
• InChI: InChI=1S/C14H12O3/c1-15-12-9-5-3-4-6-10(9)13(16-2)14-11(12)7-8-17-14/h3-8H,1-2H3
• InChI Key: ZTVWLBMIFFSWBQ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₂O₃
• Molecular Weight: 228.24 g/mol
• Exact Mass: 228.078644241 g/mol
• Topological Polar Surface Area (TPSA): 31.60 Ų
• XlogP: 3.20

Synonyms

• ZTVWLBMIFFSWBQ-UHFFFAOYSA-N
• 4,9-dimethoxy-naphtho[2,3-b]furan

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	95.99%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.44%	95.56%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	86.67%	94.03%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.79%	94.00%
CHEMBL2581	P07339	Cathepsin D	83.04%	98.95%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	82.74%	93.65%
CHEMBL3401	O75469	Pregnane X receptor	82.23%	94.73%
CHEMBL2716	Q8WUI4	Histone deacetylase 7	80.52%	89.44%

Plants that contains it

• Avicennia alba
• Glycosmis pentaphylla

Cross-Links

• PubChem: 10704532
• LOTUS: LTS0202334
• wikiData: Q105383280