12-(3,4-Dimethoxyphenyl)-7-hydroxy-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one
| Internal ID | 21efb94a-90a0-40fa-9504-62d09a81c755 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Phenylpyrroles |
| IUPAC Name | 12-(3,4-dimethoxyphenyl)-7-hydroxy-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H27NO9/c1-35-20-8-7-15(11-23(20)37-3)25-26-18-13-22(36-2)19(33)14-21(18)41-31(34)28(26)32-10-9-16-17(27(25)32)12-24(38-4)30(40-6)29(16)39-5/h7-14,33H,1-6H3 |
| InChI Key | DGLRHSMWNDQLRR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H27NO9 |
| Molecular Weight | 557.50 g/mol |
| Exact Mass | 557.16858144 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of 12-(3,4-Dimethoxyphenyl)-7-hydroxy-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/d3793140-85e1-11ee-889f-55818984ab92.jpg "2D Structure of 12-(3,4-Dimethoxyphenyl)-7-hydroxy-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18,20-nonaen-3-one")
| 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 | 97.18% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.08% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.30% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.48% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.34% | 89.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 94.86% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.67% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.94% | 99.15% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.72% | 95.53% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 87.51% | 80.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.47% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.18% | 93.03% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.52% | 86.92% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.96% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.49% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.57% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.11% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.55% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.34% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.53% | 94.03% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 81.29% | 85.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.15% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.03% | 96.09% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.81% | 92.38% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.34% | 92.98% |
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.
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| There are no matching plants. |
| PubChem | 11628251 |
| LOTUS | LTS0083606 |
| wikiData | Q104978861 |