Spirotryprostatin E
| Internal ID | cc753e5e-5101-4068-b2f1-44008cfc1d81 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3R,4S,5S,6S,9S)-1'-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-3,4-dihydroxy-6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-indole]-2,2',8-trione |
| SMILES (Canonical) | CC(=CC1C2(C(C3(N1C(=O)C4CCCN4C3=O)O)O)C5=C(C=C(C=C5)OC)N(C2=O)C=CC(C)(C)OO)C |
| SMILES (Isomeric) | CC(=C[C@H]1[C@]2([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(C=C(C=C5)OC)N(C2=O)/C=C/C(C)(C)OO)C |
| InChI | InChI=1S/C27H33N3O8/c1-15(2)13-20-26(22(32)27(35)24(34)28-11-6-7-18(28)21(31)30(20)27)17-9-8-16(37-5)14-19(17)29(23(26)33)12-10-25(3,4)38-36/h8-10,12-14,18,20,22,32,35-36H,6-7,11H2,1-5H3/b12-10+/t18-,20-,22-,26-,27+/m0/s1 |
| InChI Key | JJLSZLCTSPLZGO-VDHBQYSBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H33N3O8 |
| Molecular Weight | 527.60 g/mol |
| Exact Mass | 527.22676502 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 0.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 98.64% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.78% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.75% | 98.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 95.88% | 91.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.59% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.24% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.66% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.31% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.06% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.42% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.09% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.54% | 96.43% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.85% | 91.19% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.27% | 90.24% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.20% | 89.00% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.56% | 91.43% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.48% | 97.36% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.24% | 97.14% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 84.11% | 92.86% |
| CHEMBL240 | Q12809 | HERG | 84.01% | 89.76% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.37% | 82.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.02% | 99.18% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.48% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.53% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.51% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.05% | 97.09% |
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 | 25034617 |
| LOTUS | LTS0208026 |
| wikiData | Q77386356 |