(r)-11-Methylheptacosane

Details

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Internal ID dad15b65-4174-4a0f-a750-ade087745f3d
Taxonomy Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes
IUPAC Name (11R)-11-methylheptacosane
SMILES (Canonical) CCCCCCCCCCCCCCCCC(C)CCCCCCCCCC
SMILES (Isomeric) CCCCCCCCCCCCCCCC[C@H](C)CCCCCCCCCC
InChI InChI=1S/C28H58/c1-4-6-8-10-12-14-15-16-17-18-19-21-23-25-27-28(3)26-24-22-20-13-11-9-7-5-2/h28H,4-27H2,1-3H3/t28-/m1/s1
InChI Key NBBBXASYEKYDOB-MUUNZHRXSA-N
Popularity 2 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 15.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (r)-11-Methylheptacosane

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 95.52% 92.86%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.91% 97.29%
CHEMBL2581 P07339 Cathepsin D 93.81% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 92.49% 87.45%
CHEMBL230 P35354 Cyclooxygenase-2 92.23% 89.63%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 91.74% 85.94%
CHEMBL1907 P15144 Aminopeptidase N 91.03% 93.31%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.35% 92.08%
CHEMBL2996 Q05655 Protein kinase C delta 89.26% 97.79%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.75% 91.81%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.36% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.16% 96.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.58% 93.56%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 86.92% 90.24%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.17% 99.17%
CHEMBL299 P17252 Protein kinase C alpha 83.29% 98.03%
CHEMBL221 P23219 Cyclooxygenase-1 82.07% 90.17%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.00% 100.00%

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 123688688
LOTUS LTS0233613
wikiData Q105176690