5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol

Details

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Internal ID 92072716-3bf2-4646-9d29-0eb1de85c66d
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds
IUPAC Name 5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H36O3/c1-3-5-7-8-9-10-12-13-16(20)19-15-17(21)18(22-19)14-11-6-4-2/h3,16-21H,1,4-15H2,2H3
InChI Key ZPHRIOPZYRKRRG-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H36O3
Molecular Weight 312.50 g/mol
Exact Mass 312.26644501 g/mol
Topological Polar Surface Area (TPSA) 49.70 Ų
XlogP 5.40

Synonyms

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5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol
5-(1-hydroxydec-9-enyl)-2-pentyl-tetrahydrofuran-3-ol

2D Structure

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2D Structure of 5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.34% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.47% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.96% 97.29%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.92% 91.11%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 92.15% 92.86%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.52% 97.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.44% 99.17%
CHEMBL299 P17252 Protein kinase C alpha 90.86% 98.03%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.75% 92.08%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 89.31% 95.58%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.68% 91.81%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 88.43% 85.94%
CHEMBL2996 Q05655 Protein kinase C delta 88.03% 97.79%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.91% 97.09%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 87.49% 92.88%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.46% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.99% 94.45%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.96% 96.95%
CHEMBL3401 O75469 Pregnane X receptor 86.16% 94.73%
CHEMBL2730 P21980 Protein-glutamine gamma-glutamyltransferase 86.11% 92.38%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.42% 93.56%
CHEMBL221 P23219 Cyclooxygenase-1 85.39% 90.17%
CHEMBL230 P35354 Cyclooxygenase-2 84.06% 89.63%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.63% 97.21%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 83.31% 96.00%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 83.22% 89.34%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.94% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.91% 96.47%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 82.70% 95.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.78% 89.00%
CHEMBL2885 P07451 Carbonic anhydrase III 80.89% 87.45%

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 494498
LOTUS LTS0164726
wikiData Q105380908