(5S)-5-tetracosyloxolan-2-one

Details

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Internal ID 22506949-557f-4b43-a043-edc333450cf1
Taxonomy Organoheterocyclic compounds > Lactones > Gamma butyrolactones
IUPAC Name (5S)-5-tetracosyloxolan-2-one
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCCC1CCC(=O)O1
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChI InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-26-28(29)30-27/h27H,2-26H2,1H3/t27-/m0/s1
InChI Key JBDGMANPHCRIOU-MHZLTWQESA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C28H54O2
Molecular Weight 422.70 g/mol
Exact Mass 422.412380961 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 12.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (5S)-5-tetracosyloxolan-2-one

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 94.02% 98.95%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 91.53% 90.24%
CHEMBL230 P35354 Cyclooxygenase-2 90.16% 89.63%
CHEMBL2996 Q05655 Protein kinase C delta 89.55% 97.79%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.88% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.33% 97.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.72% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.47% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.27% 99.17%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.15% 100.00%
CHEMBL5255 O00206 Toll-like receptor 4 82.54% 92.50%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 82.52% 91.81%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.03% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.82% 99.23%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.07% 100.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Flourensia cernua

Cross-Links

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PubChem 11048118
LOTUS LTS0113546
wikiData Q105124246