5-Methyl-2-undecene

Details

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Internal ID 42a5f08e-1aae-4663-82d0-9a780c2baa48
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Unsaturated aliphatic hydrocarbons
IUPAC Name 5-methylundec-2-ene
SMILES (Canonical) CCCCCCC(C)CC=CC
SMILES (Isomeric) CCCCCCC(C)CC=CC
InChI InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,7,12H,4,6,8-11H2,1-3H3
InChI Key OEZWOBMFNBARSU-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H24
Molecular Weight 168.32 g/mol
Exact Mass 168.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.60

Synonyms

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56851-34-4
SCHEMBL2002591
DTXSID001384130
DB-306787

2D Structure

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2D Structure of 5-Methyl-2-undecene

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
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.84% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 94.53% 85.94%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 94.04% 92.86%
CHEMBL2581 P07339 Cathepsin D 93.77% 98.95%
CHEMBL1907 P15144 Aminopeptidase N 93.19% 93.31%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 92.18% 91.81%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.16% 92.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.92% 99.17%
CHEMBL2885 P07451 Carbonic anhydrase III 89.75% 87.45%
CHEMBL230 P35354 Cyclooxygenase-2 89.55% 89.63%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.37% 93.56%
CHEMBL2996 Q05655 Protein kinase C delta 87.90% 97.79%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.98% 96.09%
CHEMBL299 P17252 Protein kinase C alpha 85.45% 98.03%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.97% 97.25%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.60% 100.00%
CHEMBL240 Q12809 HERG 81.49% 89.76%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.22% 100.00%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 80.06% 85.40%

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.
Glycyrrhiza glabra

Cross-Links

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PubChem 185856
LOTUS LTS0091443
wikiData Q105190727