8-methoxy-1,5,8-trimethyl-7,9-dihydro-6H-benzo[e][1]benzofuran

Details

• Internal ID: 609ff606-0458-4a72-9faa-345d4b31e0fc
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 8-methoxy-1,5,8-trimethyl-7,9-dihydro-6H-benzo[e][1]benzofuran
• SMILES (Canonical): CC1=CC2=C(C(=CO2)C)C3=C1CCC(C3)(C)OC
• SMILES (Isomeric): CC1=CC2=C(C(=CO2)C)C3=C1CCC(C3)(C)OC
• InChI: InChI=1S/C16H20O2/c1-10-7-14-15(11(2)9-18-14)13-8-16(3,17-4)6-5-12(10)13/h7,9H,5-6,8H2,1-4H3
• InChI Key: WVCUCIZNNPDGAN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₂
• Molecular Weight: 244.33 g/mol
• Exact Mass: 244.146329876 g/mol
• Topological Polar Surface Area (TPSA): 22.40 Ų
• XlogP: 3.80

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	97.51%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.12%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.24%	86.33%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.94%	94.00%
CHEMBL1913	P09619	Platelet-derived growth factor receptor beta	87.93%	95.70%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.05%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	80.58%	95.56%

Plants that contains it

• Chloranthus multistachys

Cross-Links

• PubChem: 162898479
• LOTUS: LTS0193068
• wikiData: Q105313461