5-Ethylpentacosane

Details

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Internal ID 7b3505cc-bffc-4651-a1c2-e79833d3e8bc
Taxonomy Hydrocarbons > Saturated hydrocarbons
IUPAC Name 5-ethylpentacosane
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCC(CC)CCCC
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCC(CC)CCCC
InChI InChI=1S/C27H56/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-27(6-3)25-8-5-2/h27H,4-26H2,1-3H3
InChI Key QTLRKXAZIJQAMY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C27H56
Molecular Weight 380.70 g/mol
Exact Mass 380.438201786 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 14.60

Synonyms

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QTLRKXAZIJQAMY-UHFFFAOYSA-N

2D Structure

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2D Structure of 5-Ethylpentacosane

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
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 95.12% 92.86%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.87% 85.94%
CHEMBL1907 P15144 Aminopeptidase N 93.24% 93.31%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.05% 92.08%
CHEMBL2581 P07339 Cathepsin D 92.75% 98.95%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 92.63% 91.81%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 92.11% 97.29%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 91.58% 95.17%
CHEMBL230 P35354 Cyclooxygenase-2 90.47% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.79% 96.09%
CHEMBL2996 Q05655 Protein kinase C delta 88.44% 97.79%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.86% 99.17%
CHEMBL2885 P07451 Carbonic anhydrase III 85.64% 87.45%
CHEMBL299 P17252 Protein kinase C alpha 84.53% 98.03%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 82.52% 90.24%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.61% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.46% 93.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.01% 97.25%

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.
Vanilla planifolia

Cross-Links

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PubChem 6430311
LOTUS LTS0190659
wikiData Q104375576