19-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-3-(1-hydroxyethyl)-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 | 2c5492f0-5c97-478e-8fe3-72f4ffcaf8b1 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-3-(1-hydroxyethyl)-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) | CC1C(C(CC(O1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C(C=C5O)C)C6N4C(C(=O)O6)C(C)O)O)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C(C=C5O)C)C6N4C(C(=O)O6)C(C)O)O)O |
| InChI | InChI=1S/C28H27NO10/c1-10-7-14-19(15(31)8-10)21-23(29-22(11(2)30)28(36)39-27(14)29)26(35)20-13(25(21)34)5-4-6-17(20)38-18-9-16(32)24(33)12(3)37-18/h4-8,11-12,16,18,22,24,27,30-33H,9H2,1-3H3 |
| InChI Key | MJZNHFLLLVVUBU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H27NO10 |
| Molecular Weight | 537.50 g/mol |
| Exact Mass | 537.16349606 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 19-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-3-(1-hydroxyethyl)-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/2023/11/777524b0-862d-11ee-a62b-5df5273a8ad2.jpg "2D Structure of 19-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-3-(1-hydroxyethyl)-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 | 99.56% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.30% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.78% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.46% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.54% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.32% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.95% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.93% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.76% | 99.15% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 91.19% | 93.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.97% | 97.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.95% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.94% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.75% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.84% | 93.40% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.70% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.17% | 96.95% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.71% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.31% | 90.71% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 84.96% | 93.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.71% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.23% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.88% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.02% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.67% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.63% | 100.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.19% | 83.00% |
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 | 76010562 |
| LOTUS | LTS0224966 |
| wikiData | Q105165776 |