9-Methyloctacosane

Details

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Internal ID ee2b331d-211b-492f-9b69-aa5c44790f63
Taxonomy Hydrocarbons > Saturated hydrocarbons
IUPAC Name 9-methyloctacosane
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H60/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-28-29(3)27-25-23-11-9-7-5-2/h29H,4-28H2,1-3H3
InChI Key HGHNLISXMMUYAJ-UHFFFAOYSA-N
Popularity 4 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 15.60

Synonyms

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58210-50-7
Octacosane, 9-methyl
DTXSID70558366
HGHNLISXMMUYAJ-UHFFFAOYSA-N

2D Structure

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2D Structure of 9-Methyloctacosane

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!
To see more specific details click the taxa you are interested in.
Cannabis sativa

Cross-Links

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PubChem 14275210
LOTUS LTS0066276
wikiData Q82440631