8-Phenyloct-4-enoic acid

Details

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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

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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

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There are no found synonyms.

2D Structure

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2D Structure of 8-Phenyloct-4-enoic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Trichilia claussenii

Cross-Links

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PubChem 54178089
LOTUS LTS0165555
wikiData Q104194115