Hexadeca-1,6,8-triene-10,12,14-triyne

Details

• Internal ID: ea3fd91a-dd6c-4e9c-afeb-5eb2deabdbc6
• Taxonomy: Hydrocarbons > Unsaturated hydrocarbons > Enynes
• IUPAC Name: hexadeca-1,6,8-trien-10,12,14-triyne
• SMILES (Canonical): CC#CC#CC#CC=CC=CCCCC=C
• SMILES (Isomeric): CC#CC#CC#CC=CC=CCCCC=C
• InChI: InChI=1S/C16H16/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3,11,13,15-16H,1,5,7,9H2,2H3
• InChI Key: DAXAIPLUUQVVDQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆
• Molecular Weight: 208.30 g/mol
• Exact Mass: 208.125200510 g/mol
• Topological Polar Surface Area (TPSA): 0.00 Ų
• XlogP: 5.00

Synonyms

• DTXSID80783602
• Hexadeca-1,6,8-triene-10,12,14-triyne

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
CHEMBL242	Q92731	Estrogen receptor beta	89.77%	98.35%
CHEMBL3227	P41594	Metabotropic glutamate receptor 5	84.54%	96.42%
CHEMBL1951	P21397	Monoamine oxidase A	83.89%	91.49%
CHEMBL206	P03372	Estrogen receptor alpha	83.40%	97.64%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	82.83%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.36%	99.17%
CHEMBL203	P00533	Epidermal growth factor receptor erbB1	82.00%	97.34%
CHEMBL2581	P07339	Cathepsin D	80.29%	98.95%

Plants that contains it

• Euthamia graminifolia
• Leucanthemum maximum
• Leucanthemum vulgare
• Leucanthemum vulgare subsp. vulgare

Cross-Links

• PubChem: 71359764
• LOTUS: LTS0051434
• wikiData: Q82748435