18-Benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione
| Internal ID | 595614bb-bbcc-42d0-89de-851d015c80d2 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolide lactams |
| IUPAC Name | 18-benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione |
| SMILES (Canonical) | CC1CCC(=O)OC23C(C=CCC(C1=O)CO)C4C(O4)(C(C2C(NC3=O)CC5=CC=CC=C5)C)C |
| SMILES (Isomeric) | CC1CCC(=O)OC23C(C=CCC(C1=O)CO)C4C(O4)(C(C2C(NC3=O)CC5=CC=CC=C5)C)C |
| InChI | InChI=1S/C28H35NO6/c1-16-12-13-22(31)34-28-20(11-7-10-19(15-30)24(16)32)25-27(3,35-25)17(2)23(28)21(29-26(28)33)14-18-8-5-4-6-9-18/h4-9,11,16-17,19-21,23,25,30H,10,12-15H2,1-3H3,(H,29,33) |
| InChI Key | GLCQILWZXNNVNR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H35NO6 |
| Molecular Weight | 481.60 g/mol |
| Exact Mass | 481.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 18-Benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione](https://plantaedb.com/storage/docs/compounds/2023/11/a0b22300-8597-11ee-84c6-67b35aa3a235.jpg "2D Structure of 18-Benzyl-8-(hydroxymethyl)-6,15,16-trimethyl-2,14-dioxa-19-azatetracyclo[10.8.0.01,17.013,15]icos-10-ene-3,7,20-trione")
| 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 | 98.61% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.35% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.76% | 93.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.14% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.91% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.33% | 97.64% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.75% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.59% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.59% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.25% | 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 | 73814011 |
| LOTUS | LTS0071258 |
| wikiData | Q104167267 |