Fusariumin D

Details

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Internal ID 2d4122c1-ea3b-431d-adc4-5b008be2a532
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters
IUPAC Name [(2R,3R)-2-aminotetradecan-3-yl] octanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H45NO2/c1-4-6-8-10-11-12-13-15-16-18-21(20(3)23)25-22(24)19-17-14-9-7-5-2/h20-21H,4-19,23H2,1-3H3/t20-,21-/m1/s1
InChI Key HIZRCTJPVPAVPM-NHCUHLMSSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C22H45NO2
Molecular Weight 355.60 g/mol
Exact Mass 355.345029678 g/mol
Topological Polar Surface Area (TPSA) 52.30 Ų
XlogP 8.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Fusariumin D

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
CHEMBL230 P35354 Cyclooxygenase-2 97.68% 89.63%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.21% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.51% 99.17%
CHEMBL2581 P07339 Cathepsin D 96.17% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 95.74% 97.29%
CHEMBL4040 P28482 MAP kinase ERK2 95.69% 83.82%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 92.97% 92.86%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.53% 93.56%
CHEMBL2885 P07451 Carbonic anhydrase III 92.34% 87.45%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 90.28% 95.17%
CHEMBL299 P17252 Protein kinase C alpha 90.09% 98.03%
CHEMBL1907 P15144 Aminopeptidase N 88.14% 93.31%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 88.03% 85.94%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.82% 96.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 87.65% 92.08%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 87.56% 100.00%
CHEMBL221 P23219 Cyclooxygenase-1 86.83% 90.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.41% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.13% 94.45%
CHEMBL4227 P25090 Lipoxin A4 receptor 85.22% 100.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.17% 90.71%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.98% 97.21%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 84.28% 96.47%
CHEMBL2996 Q05655 Protein kinase C delta 82.79% 97.79%
CHEMBL5255 O00206 Toll-like receptor 4 81.90% 92.50%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 80.83% 94.33%

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 146684441
LOTUS LTS0183162
wikiData Q105029121