[5,12-Dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
| Internal ID | 6fbc5b66-9238-4c32-98e4-307484afe9f3 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindoles |
| IUPAC Name | [5,12-dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H41NO6/c1-18-8-7-9-24-28(34)20(3)19(2)27-25(16-22-10-12-23(37-6)13-11-22)32-29(35)31(24,27)26(38-21(4)33)14-15-30(5,36)17-18/h7,9-15,18-19,24-28,34,36H,3,8,16-17H2,1-2,4-6H3,(H,32,35) |
| InChI Key | AECZOENDDUTONS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H41NO6 |
| Molecular Weight | 523.70 g/mol |
| Exact Mass | 523.29338803 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [5,12-Dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4d2f09a0-865f-11ee-9ece-635ac55ebe29.jpg "2D Structure of [5,12-Dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.95% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.88% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.07% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.85% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.18% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.10% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.49% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.84% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.14% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.56% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.61% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.83% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.23% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.80% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.67% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.59% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.94% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.11% | 90.24% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.96% | 91.24% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.67% | 97.28% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.56% | 99.17% |
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 | 183341 |
| LOTUS | LTS0044830 |
| wikiData | Q104909979 |