(2R,5S,6R,7S,8R,10S,11R,12E,15S,16E,19S)-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(22),12,16-triene-3,18-dione
| Internal ID | ccd642d3-9b83-41ab-b624-b6bd25d17b53 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (2R,5S,6R,7S,8R,10S,11R,12E,15S,16E,19S)-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(22),12,16-triene-3,18-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H37N3O3/c1-17-8-7-10-22-29-31(4,38-29)19(3)27-25(15-20-16-33-23-11-6-5-9-21(20)23)35-30(37)32(22,27)26-13-12-24(34-26)28(36)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33H,8,12-13,15H2,1-4H3,(H,35,37)/b10-7+,18-14+/t17-,19-,22-,24-,25-,27-,29-,31+,32+/m0/s1 |
| InChI Key | UJPWZJUBKFMAST-USMZZGTESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H37N3O3 |
| Molecular Weight | 511.70 g/mol |
| Exact Mass | 511.28349205 g/mol |
| Topological Polar Surface Area (TPSA) | 86.90 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (2R,5S,6R,7S,8R,10S,11R,12E,15S,16E,19S)-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(22),12,16-triene-3,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/101e3e40-874a-11ee-8ea8-b7f45419023d.jpg "2D Structure of (2R,5S,6R,7S,8R,10S,11R,12E,15S,16E,19S)-5-(1H-indol-3-ylmethyl)-7,8,15,17-tetramethyl-9-oxa-4,22-diazapentacyclo[17.2.1.02,6.02,11.08,10]docosa-1(22),12,16-triene-3,18-dione")
| 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 | 98.82% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.44% | 95.56% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 96.48% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.52% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.45% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.39% | 98.95% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 92.18% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.96% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.31% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.16% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.05% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.92% | 94.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.06% | 94.80% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.28% | 90.08% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.10% | 96.39% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.97% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.90% | 98.59% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.05% | 93.99% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.44% | 96.25% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.82% | 95.56% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.33% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.28% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.85% | 94.45% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 84.17% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.17% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.97% | 96.90% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.22% | 96.21% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.09% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.01% | 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.
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| There are no matching plants. |
| PubChem | 10255818 |
| LOTUS | LTS0089200 |
| wikiData | Q105274094 |