fusaridione A
| Internal ID | bacc288b-f92a-4d4c-9e0f-f854ba16d2ea |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (3R,5S)-5-[(4-hydroxyphenyl)methyl]-3-methyl-3-[(2E,4E,6E,8E,10E)-4,8,10-trimethyldodeca-2,4,6,8,10-pentaenoyl]pyrrolidine-2,4-dione |
| SMILES (Canonical) | CC=C(C)C=C(C)C=CC=C(C)C=CC(=O)C1(C(=O)C(NC1=O)CC2=CC=C(C=C2)O)C |
| SMILES (Isomeric) | C/C=C(\C)/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]1(C(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)C |
| InChI | InChI=1S/C27H31NO4/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-24(30)27(5)25(31)23(28-26(27)32)17-21-11-13-22(29)14-12-21/h6-16,23,29H,17H2,1-5H3,(H,28,32)/b9-7+,15-10+,18-6+,19-8+,20-16+/t23-,27+/m0/s1 |
| InChI Key | VXYKTSLHEMJALI-ABULEIRLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H31NO4 |
| Molecular Weight | 433.50 g/mol |
| Exact Mass | 433.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 83.50 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.71% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.05% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.72% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.82% | 94.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.66% | 91.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.85% | 95.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 86.98% | 97.28% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.51% | 90.08% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.08% | 89.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.60% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.81% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.63% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.26% | 85.11% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.12% | 88.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.79% | 92.97% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.42% | 85.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.74% | 98.59% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.39% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 91819845 |
| LOTUS | LTS0122454 |
| wikiData | Q105298843 |