Trichoverrin A
| Internal ID | a17872dc-fad4-4588-a15e-18b120786abe |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Trichothecenes |
| IUPAC Name | [(1S,2R,7R,11R,12S)-2-[[(E)-5-hydroxy-3-methylpent-2-enoyl]oxymethyl]-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] (2Z,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H40O9/c1-18-9-11-28(16-35-26(34)14-19(2)10-12-30)23(13-18)37-24-15-22(27(28,4)29(24)17-36-29)38-25(33)8-6-5-7-21(32)20(3)31/h5-8,13-14,20-24,30-32H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22+,23+,24?,27+,28+,29-/m0/s1 |
| InChI Key | SYKUAMFXVHJZSH-DHULOTLBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H40O9 |
| Molecular Weight | 532.60 g/mol |
| Exact Mass | 532.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.80 |
| F7HOM1M1LM |
| UNII-F7HOM1M1LM |
| 76739-70-3 |
| Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-((2Z,4E,6S,7S)-6,7-dihydroxy-2,4-octadienoate) 15-((2E)-5-hydroxy-3-methyl-2-pentenoate), (4beta)- |
| CHEMBL136053 |
| TRICHOTHEC-9-ENE-4,15-DIOL, 12,13-EPOXY-, 4-((2Z,4E,6S,7S)-6,7-DIHYDROXY-2,4-OCTADIENOATE) 15-((2E)-5-HYDROXY-3-METHYL-2-PENTENOATE), (4.BETA.)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.23% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.11% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.39% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.18% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.87% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.07% | 91.07% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.41% | 89.63% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 86.64% | 80.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.55% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.27% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.80% | 97.79% |
| CHEMBL5028 | O14672 | ADAM10 | 82.69% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.36% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.90% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.53% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.93% | 94.73% |
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 | 73354304 |
| LOTUS | LTS0129158 |
| wikiData | Q105263629 |