4,5-Dimethoxy-2-[(4,15,16-trimethoxy-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]benzaldehyde
| Internal ID | 68d7f645-d0cf-4c5c-adf5-cce87d2a09f0 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 4,5-dimethoxy-2-[(4,15,16-trimethoxy-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]benzaldehyde |
| SMILES (Canonical) | COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC5=CC(=C(C=C5C=O)OC)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC5=CC(=C(C=C5C=O)OC)OC)OC |
| InChI | InChI=1S/C28H23NO8/c1-32-19-9-15(13-30)18(12-21(19)34-3)37-22-11-17-16(10-20(22)33-2)25-24-14(6-7-29-26(24)27(17)31)8-23(35-4)28(25)36-5/h6-13H,1-5H3 |
| InChI Key | KAMFRKUXZWTOBU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H23NO8 |
| Molecular Weight | 501.50 g/mol |
| Exact Mass | 501.14236669 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 4,5-Dimethoxy-2-[(4,15,16-trimethoxy-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/5852e7b0-8716-11ee-adfc-4d2df3186526.jpg "2D Structure of 4,5-Dimethoxy-2-[(4,15,16-trimethoxy-8-oxo-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-5-yl)oxy]benzaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.19% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.52% | 86.33% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 93.83% | 95.12% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 93.79% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.45% | 96.00% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 92.78% | 86.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.52% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.62% | 92.98% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 90.19% | 96.67% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 89.41% | 98.11% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 89.38% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.29% | 89.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.21% | 94.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.07% | 94.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.69% | 92.38% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.16% | 94.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.86% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.21% | 96.09% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.86% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.47% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.13% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.98% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.78% | 92.97% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.86% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.89% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.67% | 99.15% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 80.40% | 81.14% |
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.
| Hernandia nymphaeifolia |
| PubChem | 101701770 |
| LOTUS | LTS0217647 |
| wikiData | Q105137899 |