[12-(4-Hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-3-oxo-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-7-yl] hydrogen sulfate
| Internal ID | d1e54cc1-8f01-4677-95e5-aa01ca2cb6fc |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Phenylpyrroles |
| IUPAC Name | [12-(4-hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-3-oxo-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-7-yl] hydrogen sulfate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2=C3C4=CC(=C(C(=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)OS(=O)(=O)O)OC)OC)OC)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C2=C3C4=CC(=C(C(=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)OS(=O)(=O)O)OC)OC)OC)OC)O |
| InChI | InChI=1S/C30H25NO12S/c1-37-20-10-14(6-7-18(20)32)24-25-17-12-21(38-2)22(43-44(34,35)36)13-19(17)42-30(33)27(25)31-9-8-15-16(26(24)31)11-23(39-3)29(41-5)28(15)40-4/h6-13,32H,1-5H3,(H,34,35,36) |
| InChI Key | GCSJMPWRIRXIJP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H25NO12S |
| Molecular Weight | 623.60 g/mol |
| Exact Mass | 623.10974641 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [12-(4-Hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-3-oxo-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-7-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/a3b34170-882d-11ee-b3ff-a5dd714c1504.jpg "2D Structure of [12-(4-Hydroxy-3-methoxyphenyl)-8,16,17,18-tetramethoxy-3-oxo-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-7-yl] hydrogen sulfate")
| 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 | 97.59% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.37% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 96.52% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.72% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.09% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.09% | 85.14% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 92.58% | 95.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.29% | 86.33% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 91.72% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.32% | 86.92% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 90.07% | 80.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.41% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.87% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.98% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.87% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.33% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.67% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.38% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.69% | 94.45% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.34% | 96.67% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.04% | 92.38% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.03% | 85.00% |
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 | 10817701 |
| LOTUS | LTS0081557 |
| wikiData | Q105006440 |