3-Benzyl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
| Internal ID | 94f50e71-023c-4efc-b336-2ec06393cc64 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 3-benzyl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H29NO9/c1-15-11-19-25(21(35)12-15)27-28(34-20(33(40)43-32(19)34)13-17-7-4-3-5-8-17)31(39)26-18(30(27)38)9-6-10-23(26)42-24-14-22(36)29(37)16(2)41-24/h3-12,16,20,22,24,29,32,35-37H,13-14H2,1-2H3 |
| InChI Key | OCASEYRRLPLBRV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H29NO9 |
| Molecular Weight | 583.60 g/mol |
| Exact Mass | 583.18423150 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 3-Benzyl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione](https://plantaedb.com/storage/docs/compounds/2023/11/94436fe0-862e-11ee-8895-07ecbd826111.jpg "2D Structure of 3-Benzyl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.70% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.65% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.06% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.49% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.64% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.54% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.06% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.98% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.77% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.94% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.50% | 96.25% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.54% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.45% | 97.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.34% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.19% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.19% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.64% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.71% | 97.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.98% | 96.38% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.64% | 95.50% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 82.56% | 97.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.37% | 94.00% |
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 | 76010709 |
| LOTUS | LTS0089420 |
| wikiData | Q105189252 |