2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran

Details

• Internal ID: fe13a2c5-a768-498d-9ef4-1824f04ff4bb
• Taxonomy: Organoheterocyclic compounds > Heteroaromatic compounds
• IUPAC Name: 2-[(E)-5-(furan-3-yl)-2-methylpent-2-enyl]-4-methylfuran
• SMILES (Canonical): CC1=COC(=C1)CC(=CCCC2=COC=C2)C
• SMILES (Isomeric): CC1=COC(=C1)C/C(=C/CCC2=COC=C2)/C
• InChI: InChI=1S/C15H18O2/c1-12(8-15-9-13(2)10-17-15)4-3-5-14-6-7-16-11-14/h4,6-7,9-11H,3,5,8H2,1-2H3/b12-4+
• InChI Key: RLEJDNXLEULCOM-UUILKARUSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₈O₂
• Molecular Weight: 230.30 g/mol
• Exact Mass: 230.130679813 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 4.20

Synonyms

• 2-[(E)-5-(3-Furyl)-2-methyl-2-pentenyl]-4-methylfuran

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	95.64%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	94.15%	94.73%
CHEMBL2581	P07339	Cathepsin D	91.50%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.85%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.53%	99.17%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	85.85%	93.65%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.76%	94.45%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	82.15%	92.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.46%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	81.02%	89.00%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.95%	93.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	80.93%	94.80%

Plants that contains it

• Ursinia abrotanifolia
• Ursinia anethoides
• Ursinia nana
• Ursinia saxatilis

Cross-Links

• PubChem: 15558825
• LOTUS: LTS0071301
• wikiData: Q105239902