5-[4-(Dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-18-methyl-10,13,17-trioxatetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6-tetraene-2,9,14-trione
| Internal ID | 456678d7-1c2f-4090-8856-15a2bcb5b78b |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 5-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-18-methyl-10,13,17-trioxatetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6-tetraene-2,9,14-trione |
| SMILES (Canonical) | CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)OC4=C(C3=O)C(OC5C4OC(=O)C5)C)O)N(C)C)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)OC4=C(C3=O)C(OC5C4OC(=O)C5)C)O)N(C)C)O |
| InChI | InChI=1S/C24H27NO9/c1-9-17-21(29)18-12(24(30)34-23(17)22-15(31-9)8-16(26)33-22)6-5-11(20(18)28)14-7-13(25(3)4)19(27)10(2)32-14/h5-6,9-10,13-15,19,22,27-28H,7-8H2,1-4H3 |
| InChI Key | DOGTUFDIMWQYID-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H27NO9 |
| Molecular Weight | 473.50 g/mol |
| Exact Mass | 473.16858144 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 5-[4-(Dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-18-methyl-10,13,17-trioxatetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6-tetraene-2,9,14-trione](https://plantaedb.com/storage/docs/compounds/2023/11/ebc596e0-8547-11ee-a7c1-4742b7570495.jpg "2D Structure of 5-[4-(Dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-18-methyl-10,13,17-trioxatetracyclo[9.7.0.03,8.012,16]octadeca-1(11),3(8),4,6-tetraene-2,9,14-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.55% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.18% | 89.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.89% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.34% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.54% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.12% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.87% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.14% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.66% | 95.89% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.46% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.13% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.40% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.77% | 94.73% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.69% | 95.83% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.25% | 93.56% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.76% | 95.62% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.00% | 83.10% |
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 | 162815599 |
| LOTUS | LTS0083147 |
| wikiData | Q103818578 |