24-Hydroxyoctacosan-4-One

Details

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Internal ID c677c835-ab69-490c-9f13-33eb6826c66f
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name 24-hydroxyoctacosan-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H56O2/c1-3-5-24-28(30)26-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-25-27(29)23-4-2/h28,30H,3-26H2,1-2H3
InChI Key MTVMCAVIRSCQSX-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C28H56O2
Molecular Weight 424.70 g/mol
Exact Mass 424.42803102 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 11.10

Synonyms

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113578-15-7
DTXSID00678566
RefChem:89826
DTXCID40629315
CHEMBL1171344

2D Structure

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2D Structure of 24-Hydroxyoctacosan-4-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 96.20% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.18% 85.94%
CHEMBL4040 P28482 MAP kinase ERK2 93.84% 83.82%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.71% 97.29%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.66% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.44% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 89.55% 93.31%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 88.85% 95.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 86.41% 92.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.10% 93.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.90% 91.81%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 85.63% 92.86%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.23% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.72% 91.11%
CHEMBL299 P17252 Protein kinase C alpha 81.98% 98.03%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 80.81% 92.29%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.46% 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.
Haloxylon salicornicum

Cross-Links

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PubChem 49797799
LOTUS LTS0076523
wikiData Q82601797