2-methoxy-6Z-hexadecenoic acid

Details

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Internal ID 18aa5974-507a-4f37-88b9-847a6643743d
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name (Z)-2-methoxyhexadec-6-enoic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h11-12,16H,3-10,13-15H2,1-2H3,(H,18,19)/b12-11-
InChI Key KGJRSNOTKLROQM-QXMHVHEDSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C17H32O3
Molecular Weight 284.40 g/mol
Exact Mass 284.23514488 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 6.00

Synonyms

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(6Z)-2-Methoxyhexadecenoic acid
CHEBI:34294
(Z)-2-methoxyhexadec-6-enoic acid
2-Methoxy-6Z-hexadecenoate
CHEMBL447196
SCHEMBL5374562
(z)-2-methoxy-6-hexadecenoic acid
LMFA01080008
Q27115973

2D Structure

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2D Structure of 2-methoxy-6Z-hexadecenoic 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
CHEMBL3060 Q9Y345 Glycine transporter 2 97.82% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.37% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.29% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 92.17% 97.29%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 92.01% 96.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.24% 92.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.92% 93.56%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 87.52% 92.86%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 86.32% 100.00%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 84.66% 91.81%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.43% 97.21%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.44% 96.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 82.94% 100.00%
CHEMBL1781 P11387 DNA topoisomerase I 82.67% 97.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.56% 94.45%
CHEMBL221 P23219 Cyclooxygenase-1 81.97% 90.17%

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 5282314
LOTUS LTS0103316
wikiData Q27115973