8-Phenyloct-4-enoic acid

Details

• Internal ID: cc609947-29f5-441d-b091-f1ae87f3ddf4
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: 8-phenyloct-4-enoic acid
• SMILES (Canonical): C1=CC=C(C=C1)CCCC=CCCC(=O)O
• SMILES (Isomeric): C1=CC=C(C=C1)CCCC=CCCC(=O)O
• InChI: InChI=1S/C14H18O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1,3-4,6-7,10-11H,2,5,8-9,12H2,(H,15,16)
• InChI Key: OZVXSKKGSPDWPG-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₈O₂
• Molecular Weight: 218.29 g/mol
• Exact Mass: 218.130679813 g/mol
• Topological Polar Surface Area (TPSA): 37.30 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
CHEMBL2581	P07339	Cathepsin D	95.37%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.81%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.66%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	89.77%	94.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.50%	91.11%
CHEMBL1781	P11387	DNA topoisomerase I	88.46%	97.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.04%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.29%	86.33%
CHEMBL1255126	O15151	Protein Mdm4	85.98%	90.20%
CHEMBL5805	Q9NR97	Toll-like receptor 8	83.59%	96.25%
CHEMBL3401	O75469	Pregnane X receptor	82.26%	94.73%
CHEMBL3902	P09211	Glutathione S-transferase Pi	81.82%	93.81%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.24%	95.50%

Plants that contains it

• Trichilia claussenii

Cross-Links

• PubChem: 54178089
• LOTUS: LTS0165555
• wikiData: Q104194115