(R)-2-hydroxy-6-(14-hydroxypentadecyl)benzoic acid

Details

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Internal ID cab2d9c2-bcd4-4844-9f31-ccdbdc2b946b
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name 2-hydroxy-6-[(14R)-14-hydroxypentadecyl]benzoic acid
SMILES (Canonical) CC(CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O)O
SMILES (Isomeric) C[C@H](CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O)O
InChI InChI=1S/C22H36O4/c1-18(23)14-11-9-7-5-3-2-4-6-8-10-12-15-19-16-13-17-20(24)21(19)22(25)26/h13,16-18,23-24H,2-12,14-15H2,1H3,(H,25,26)/t18-/m1/s1
InChI Key RADCIILJHZXQTQ-GOSISDBHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C22H36O4
Molecular Weight 364.50 g/mol
Exact Mass 364.26135963 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 7.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-2-hydroxy-6-(14-hydroxypentadecyl)benzoic 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 98.04% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.64% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 93.85% 94.73%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.24% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.40% 95.56%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.25% 93.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.45% 100.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.20% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.66% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.58% 96.00%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 81.75% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.62% 90.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.55% 95.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.97% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 80.78% 93.31%

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 146683502
LOTUS LTS0192042
wikiData Q105173393