Stachybotrysin E
| Internal ID | ae63827b-7735-4558-b80f-6c0773a2d6b1 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | [(3R,4aS,8R,8aS)-7'-formyl-3,4'-dihydroxy-4,4,8a-trimethyl-7-methylidenespiro[1,2,3,4a,5,6-hexahydronaphthalene-8,2'-3H-1-benzofuran]-6'-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32O6/c1-14-6-7-20-23(3,4)21(29)8-9-24(20,5)25(14)11-17-19(28)10-16(13-30-15(2)27)18(12-26)22(17)31-25/h10,12,20-21,28-29H,1,6-9,11,13H2,2-5H3/t20-,21+,24-,25+/m0/s1 |
| InChI Key | PNBXBCWKUQPMIY-PEARBKPGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H32O6 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 3.40 |
| CHEMBL4207922 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.48% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.48% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.39% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.53% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.83% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.37% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.48% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.17% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.17% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.77% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.60% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.14% | 93.40% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.96% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.94% | 91.07% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.93% | 89.05% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.26% | 97.28% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.03% | 98.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.13% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.80% | 86.33% |
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 | 132487913 |
| LOTUS | LTS0125300 |
| wikiData | Q105211861 |