6,7-Dimethylheptacosane

Details

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Internal ID c8beb26b-c79a-49bc-9c91-6888c445a850
Taxonomy Hydrocarbons > Saturated hydrocarbons > Alkanes > Branched alkanes
IUPAC Name 6,7-dimethylheptacosane
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCC(C)C(C)CCCCC
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCC(C)C(C)CCCCC
InChI InChI=1S/C29H60/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29(4)28(3)26-24-8-6-2/h28-29H,5-27H2,1-4H3
InChI Key FMDWIRXHQCMSIR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C29H60
Molecular Weight 408.80 g/mol
Exact Mass 408.469501914 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 15.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,7-Dimethylheptacosane

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 95.63% 92.86%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.02% 97.29%
CHEMBL2581 P07339 Cathepsin D 94.38% 98.95%
CHEMBL4462 Q8IXJ6 NAD-dependent deacetylase sirtuin 2 93.07% 90.24%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.63% 85.94%
CHEMBL2885 P07451 Carbonic anhydrase III 92.49% 87.45%
CHEMBL230 P35354 Cyclooxygenase-2 91.96% 89.63%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.75% 92.08%
CHEMBL1907 P15144 Aminopeptidase N 90.66% 93.31%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.26% 96.09%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.75% 91.81%
CHEMBL2996 Q05655 Protein kinase C delta 88.26% 97.79%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.58% 93.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.85% 97.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.17% 99.17%
CHEMBL299 P17252 Protein kinase C alpha 83.44% 98.03%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.00% 100.00%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.68% 96.47%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 80.15% 97.23%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 80.12% 95.17%

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.
Stellaria media

Cross-Links

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PubChem 15232135
LOTUS LTS0134775
wikiData Q104997737