(4S,6R,8R,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane

Details

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Internal ID 66c24bdc-b5f4-4220-ad1f-d44605d7ca8a
Taxonomy Hydrocarbons > Saturated hydrocarbons
IUPAC Name (4S,6R,8R,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C28H58/c1-9-11-16-24(4)19-25(5)17-13-12-14-18-26(6)21-28(8)22-27(7)20-23(3)15-10-2/h23-28H,9-22H2,1-8H3/t23-,24-,25+,26-,27+,28+/m0/s1
InChI Key STQCZSKIOVDDDU-IHUOSMAKSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C28H58
Molecular Weight 394.80 g/mol
Exact Mass 394.453851850 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 13.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (4S,6R,8R,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane

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 96.17% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 94.82% 93.31%
CHEMBL242 Q92731 Estrogen receptor beta 93.57% 98.35%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 91.83% 92.86%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 91.34% 97.29%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 91.09% 91.81%
CHEMBL2996 Q05655 Protein kinase C delta 90.46% 97.79%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.64% 93.56%
CHEMBL2885 P07451 Carbonic anhydrase III 88.74% 87.45%
CHEMBL221 P23219 Cyclooxygenase-1 88.63% 90.17%
CHEMBL299 P17252 Protein kinase C alpha 87.65% 98.03%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.51% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 85.21% 89.63%
CHEMBL4105838 Q96GG9 DCN1-like protein 1 84.57% 95.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.95% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 82.78% 92.08%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.51% 90.71%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 81.35% 85.40%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 81.13% 97.23%
CHEMBL268 P43235 Cathepsin K 80.62% 96.85%

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 11589292
LOTUS LTS0119834
wikiData Q105260494