Undec-5-en-3-yne

Details

• Internal ID: 1d43e8cb-7d50-49e8-8b90-8333488f5fc8
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Enynes
• IUPAC Name: undec-5-en-3-yne
• SMILES (Canonical): CCCCCC=CC#CCC
• SMILES (Isomeric): CCCCCC=CC#CCC
• InChI: InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h10-11H,3-5,7,9H2,1-2H3
• InChI Key: HKGRHUQPBWLCLA-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₈
• Molecular Weight: 150.26 g/mol
• Exact Mass: 150.140850574 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 4.60

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
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	93.82%	92.08%
CHEMBL230	P35354	Cyclooxygenase-2	93.51%	89.63%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.16%	99.17%
CHEMBL2581	P07339	Cathepsin D	90.05%	98.95%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	89.78%	92.86%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	88.26%	91.81%
CHEMBL221	P23219	Cyclooxygenase-1	87.04%	90.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.70%	96.09%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	82.54%	85.94%
CHEMBL1781	P11387	DNA topoisomerase I	81.08%	97.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.30%	97.25%

Plants that contains it

• Angelica archangelica
• Angelica gigas

Cross-Links

• PubChem: 53083
• LOTUS: LTS0229216
• wikiData: Q104375815