2-[(1Z,7E)-nona-1,7-dien-3,5-diynyl]furan

Details

• Internal ID: b406379d-c6a1-4097-81b1-6c702344ba20
• Taxonomy: Organoheterocyclic compounds > Heteroaromatic compounds
• IUPAC Name: 2-[(1Z,7E)-nona-1,7-dien-3,5-diynyl]furan
• InChI: InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h2-3,8-12H,1H3/b3-2+,10-8-
• InChI Key: GRBKWAXRYIITKG-DFMWGIFQSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₀O
• Molecular Weight: 182.22 g/mol
• Exact Mass: 182.073164938 g/mol
• Topological Polar Surface Area (TPSA): 13.10 Ų
• XlogP: 3.50

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
CHEMBL3401	O75469	Pregnane X receptor	89.50%	94.73%
CHEMBL2039	P27338	Monoamine oxidase B	89.35%	92.51%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.16%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.48%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.40%	86.33%
CHEMBL1951	P21397	Monoamine oxidase A	85.47%	91.49%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.45%	96.00%
CHEMBL3227	P41594	Metabotropic glutamate receptor 5	83.47%	96.42%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.38%	90.24%

Plants that contains it

• Atractylodes lancea

Cross-Links

• PubChem: 101142679
• LOTUS: LTS0129468
• wikiData: Q105015710