Epi-Fumonisin B3
| Internal ID | b38cc290-f506-4c45-9b09-88c0a6d4417d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Fumonisins |
| IUPAC Name | (2R)-2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26+,27-,32+/m0/s1 |
| InChI Key | CPCRJSQNWHCGOP-JRADOTLWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C34H59NO14 |
| Molecular Weight | 705.80 g/mol |
| Exact Mass | 705.39355556 g/mol |
| Topological Polar Surface Area (TPSA) | 268.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.14% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.96% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.56% | 97.29% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.78% | 93.31% |
| CHEMBL236 | P41143 | Delta opioid receptor | 94.78% | 99.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.74% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.59% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.14% | 96.47% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.90% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.77% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.70% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.62% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.10% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.01% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.26% | 94.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.56% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.02% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.53% | 96.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 85.29% | 97.06% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.96% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.57% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.37% | 87.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.11% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.43% | 96.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.56% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.94% | 94.45% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139583667 |
| LOTUS | LTS0108195 |
| wikiData | Q75065240 |