Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3h)-furanone

Details

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Internal ID 0798cb57-96fa-411f-a303-20c842ffec79
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 5-(7-hydroxytetradec-8-enyl)oxolan-2-one
SMILES (Canonical) CCCCCC=CC(CCCCCCC1CCC(=O)O1)O
SMILES (Isomeric) CCCCCC=CC(CCCCCCC1CCC(=O)O1)O
InChI InChI=1S/C18H32O3/c1-2-3-4-5-8-11-16(19)12-9-6-7-10-13-17-14-15-18(20)21-17/h8,11,16-17,19H,2-7,9-10,12-15H2,1H3
InChI Key RAXOXVFTKUDLED-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C18H32O3
Molecular Weight 296.40 g/mol
Exact Mass 296.23514488 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Dihydro-5-(7-hydroxy-8-tetradecenyl)-2(3h)-furanone

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 97.56% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.57% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.59% 91.11%
CHEMBL230 P35354 Cyclooxygenase-2 93.88% 89.63%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 91.25% 100.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.08% 97.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.90% 93.56%
CHEMBL299 P17252 Protein kinase C alpha 88.82% 98.03%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.70% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.58% 95.56%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 88.06% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.03% 96.09%
CHEMBL2996 Q05655 Protein kinase C delta 87.08% 97.79%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 87.08% 96.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 86.81% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.57% 96.47%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 84.77% 91.81%
CHEMBL5255 O00206 Toll-like receptor 4 84.03% 92.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.57% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 81.35% 94.73%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.98% 82.38%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 80.73% 92.08%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.43% 90.71%

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 75951471
LOTUS LTS0128464
wikiData Q105232948