Epoxyrosellichalasin
| Internal ID | e9483f6b-fa01-4685-91a4-bec36e9659cc |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | (1S,5E,8S,10R,12R,13S,14S,16R,17S,18S,19S)-19-benzyl-6,8,16,17-tetramethyl-2,11,15-trioxa-20-azapentacyclo[11.8.0.01,18.010,12.014,16]henicos-5-ene-3,7,21-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H33NO6/c1-14-10-11-20(30)34-28-21(18(29-26(28)32)13-17-8-6-5-7-9-17)16(3)27(4)25(35-27)22(28)24-19(33-24)12-15(2)23(14)31/h5-10,15-16,18-19,21-22,24-25H,11-13H2,1-4H3,(H,29,32)/b14-10+/t15-,16-,18-,19+,21-,22-,24-,25-,27+,28-/m0/s1 |
| InChI Key | ZYDFGQLETLUQKA-HHCPCTDWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H33NO6 |
| Molecular Weight | 479.60 g/mol |
| Exact Mass | 479.23078777 g/mol |
| Topological Polar Surface Area (TPSA) | 97.50 Ų |
| XlogP | 3.20 |
| (1S,5E,8S,10R,12R,13S,14S,16R,17S,18S,19S)-19-benzyl-6,8,16,17-tetramethyl-2,11,15-trioxa-20-azapentacyclo[11.8.0.01,18.010,12.014,16]henicos-5-ene-3,7,21-trione |
| (1S,5E,8S,10R,12R,13S,14S,16R,17S,18S,19S)-19-benzyl-6,8,16,17-tetramethyl-2,11,15-trioxa-20-azapentacyclo(11.8.0.01,18.010,12.014,16)henicos-5-ene-3,7,21-trione |
| RefChem:137392 |
| CHEBI:206696 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.55% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.12% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.54% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.80% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.44% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.90% | 91.11% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 88.64% | 95.48% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.07% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.04% | 90.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.07% | 97.64% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.79% | 96.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.44% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.09% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.01% | 95.50% |
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 | 146682723 |
| LOTUS | LTS0226239 |
| wikiData | Q105386013 |