2-Methyltetracos-17-enoic acid

Details

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Internal ID 2cd8d083-1b48-424f-bab7-0270d0ed1a6d
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
IUPAC Name 2-methyltetracos-17-enoic acid
SMILES (Canonical) CCCCCCC=CCCCCCCCCCCCCCCC(C)C(=O)O
SMILES (Isomeric) CCCCCCC=CCCCCCCCCCCCCCCC(C)C(=O)O
InChI InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)25(26)27/h8-9,24H,3-7,10-23H2,1-2H3,(H,26,27)
InChI Key ZVXCYIINNQBNIE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C25H48O2
Molecular Weight 380.60 g/mol
Exact Mass 380.365430770 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 11.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Methyltetracos-17-enoic acid

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 96.63% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.52% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 94.26% 97.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 93.56% 93.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.73% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 92.04% 90.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 90.25% 92.86%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.98% 96.47%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 89.23% 92.08%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 89.10% 85.94%
CHEMBL230 P35354 Cyclooxygenase-2 87.59% 89.63%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.19% 100.00%
CHEMBL1781 P11387 DNA topoisomerase I 87.09% 97.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.78% 96.95%
CHEMBL2885 P07451 Carbonic anhydrase III 85.38% 87.45%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.55% 100.00%
CHEMBL236 P41143 Delta opioid receptor 82.74% 99.35%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.20% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.15% 96.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.62% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.11% 94.45%

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.
Oxalis pes-caprae

Cross-Links

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PubChem 86004309
LOTUS LTS0258226
wikiData Q105001601