(R)-3,5-dihydroxy-7-(16-hydroxyheptadecyl)benzoic acid

Details

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Internal ID 4516e756-0229-4a01-90fa-73ec664c738c
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name 2,4-dihydroxy-6-[(16R)-16-hydroxyheptadecyl]benzoic acid
SMILES (Canonical) CC(CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O)O
SMILES (Isomeric) C[C@H](CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O)O
InChI InChI=1S/C24H40O5/c1-19(25)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-20-17-21(26)18-22(27)23(20)24(28)29/h17-19,25-27H,2-16H2,1H3,(H,28,29)/t19-/m1/s1
InChI Key LKHNOUWMCZTMRP-LJQANCHMSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H40O5
Molecular Weight 408.60 g/mol
Exact Mass 408.28757437 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 8.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (R)-3,5-dihydroxy-7-(16-hydroxyheptadecyl)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 97.59% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.98% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.00% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 91.96% 94.73%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.19% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.26% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.96% 97.29%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.58% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.09% 95.56%
CHEMBL3194 P02766 Transthyretin 84.81% 90.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.73% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.41% 96.00%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 80.05% 95.17%

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 139585427
LOTUS LTS0085252
wikiData Q77422167