Solwaric acid A

Details

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Internal ID 66e32b2b-a73f-452c-8467-e5392e2b331e
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
IUPAC Name 8-(4-methyl-2-prop-2-enylphenyl)octanoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H26O2/c1-3-9-17-14-15(2)12-13-16(17)10-7-5-4-6-8-11-18(19)20/h3,12-14H,1,4-11H2,2H3,(H,19,20)
InChI Key WQSRLGOQJXDJSY-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H26O2
Molecular Weight 274.40 g/mol
Exact Mass 274.193280068 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Solwaric acid A

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 95.92% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.65% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.56% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.53% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.82% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 92.49% 94.73%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 86.44% 95.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.51% 86.33%
CHEMBL5805 Q9NR97 Toll-like receptor 8 85.49% 96.25%
CHEMBL2039 P27338 Monoamine oxidase B 85.10% 92.51%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.81% 94.62%
CHEMBL4330 Q9NS75 Cysteinyl leukotriene receptor 2 84.42% 98.00%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 84.38% 86.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.32% 96.00%
CHEMBL1781 P11387 DNA topoisomerase I 82.76% 97.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.47% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 80.53% 97.21%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 139584026
LOTUS LTS0133735
wikiData Q77278679