a Methyl farnesoate

Details

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Internal ID f6cc7c48-c420-460d-8592-387a421226dc
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name methyl 3,7,11-trimethyldodeca-2,6,10-trienoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3
InChI Key NWKXNIPBVLQYAB-UHFFFAOYSA-N
Popularity 326 references in papers

Physical and Chemical Properties

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Molecular Formula C16H26O2
Molecular Weight 250.38 g/mol
Exact Mass 250.193280068 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 5.30

Synonyms

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a methyl farnesate
a methyl farnesylate
a farnesyl methyl ester
a farnesoic acid methyl ester
a farnesenic acid, methyl ester
a methyl 3,7,11-trimethyl-2,6,10-dodecatrienoate
a 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester

2D Structure

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2D Structure of a Methyl farnesoate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.20% 96.09%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.27% 92.08%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.09% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.15% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.10% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 88.70% 83.82%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 86.61% 94.33%
CHEMBL2581 P07339 Cathepsin D 84.49% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 84.00% 94.73%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.80% 89.34%
CHEMBL340 P08684 Cytochrome P450 3A4 81.41% 91.19%
CHEMBL221 P23219 Cyclooxygenase-1 80.46% 90.17%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 80.14% 91.24%

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 122287
LOTUS LTS0124916
wikiData Q105186665