(1R,5E,7S,9R,11E,13S,14S,16R,17S,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione
| Internal ID | 123dab70-cee9-4ba7-963b-0906a2f8dfd6 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives |
| IUPAC Name | (1R,5E,7S,9R,11E,13S,14S,16R,17S,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H35NO8/c1-16-7-6-8-20-24-28(4,37-24)17(2)22-21(15-18-9-11-19(35-5)12-10-18)30-25(32)29(20,22)38-26(33)36-14-13-27(3,34)23(16)31/h6,8-14,16-17,20-22,24,34H,7,15H2,1-5H3,(H,30,32)/b8-6+,14-13+/t16-,17+,20+,21-,22-,24+,27+,28-,29+/m1/s1 |
| InChI Key | LVWIBRGJAUUGDB-JBPQJAPKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H35NO8 |
| Molecular Weight | 525.60 g/mol |
| Exact Mass | 525.23626707 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (1R,5E,7S,9R,11E,13S,14S,16R,17S,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione](https://plantaedb.com/storage/docs/compounds/2023/11/de6864c0-8706-11ee-86cb-e5f50e8cffce.jpg "2D Structure of (1R,5E,7S,9R,11E,13S,14S,16R,17S,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.19% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.46% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.45% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.35% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.14% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.38% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.81% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.57% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.07% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.31% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.41% | 90.24% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.13% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.33% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.25% | 91.07% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.17% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.59% | 97.14% |
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 | 162921396 |
| LOTUS | LTS0070264 |
| wikiData | Q105158100 |