2-[(E)-hept-1-en-3,5-diynyl]furan

Details

• Internal ID: 333694da-76fd-4872-8592-635deda6eddd
• Taxonomy: Organoheterocyclic compounds > Heteroaromatic compounds
• IUPAC Name: 2-[(E)-hept-1-en-3,5-diynyl]furan
• SMILES (Canonical): CC#CC#CC=CC1=CC=CO1
• SMILES (Isomeric): CC#CC#C/C=C/C1=CC=CO1
• InChI: InChI=1S/C11H8O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h6-10H,1H3/b8-6+
• InChI Key: NOOWZXJIDIWJKN-SOFGYWHQSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₈O
• Molecular Weight: 156.18 g/mol
• Exact Mass: 156.057514874 g/mol
• Topological Polar Surface Area (TPSA): 13.10 Ų
• XlogP: 2.80

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
CHEMBL1293249	Q13887	Kruppel-like factor 5	90.61%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	89.90%	94.73%
CHEMBL3227	P41594	Metabotropic glutamate receptor 5	88.48%	96.42%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.48%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.00%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	86.26%	91.49%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	84.63%	96.00%
CHEMBL221	P23219	Cyclooxygenase-1	83.61%	90.17%
CHEMBL2039	P27338	Monoamine oxidase B	81.32%	92.51%

Plants that contains it

• Santolina chamaecyparissus

Cross-Links

• PubChem: 11019107
• LOTUS: LTS0083481
• wikiData: Q105182686