(7R)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
| Internal ID | a5ea36f2-f9b0-41f7-a4cf-af0d23be0905 |
| Taxonomy | Hydrocarbon derivatives > Tropones |
| IUPAC Name | (7R)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| SMILES (Canonical) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC |
| SMILES (Isomeric) | CN[C@@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)OC |
| InChI | InChI=1S/C20H23NO5/c1-21-14-7-5-11-9-17(25-3)19(23)20(26-4)18(11)12-6-8-16(24-2)15(22)10-13(12)14/h6,8-10,14,21,23H,5,7H2,1-4H3/t14-/m1/s1 |
| InChI Key | KEOVUWFJHROWNK-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40 g/mol |
| Exact Mass | 357.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 77.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (7R)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/7r-2-hydroxy-1310-trimethoxy-7-methylamino-67-dihydro-5h-benzoaheptalen-9-one.jpg "2D Structure of (7R)-2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.64% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.14% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.07% | 96.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.17% | 91.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.28% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.90% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.53% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.29% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.62% | 95.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.22% | 96.21% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.08% | 91.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.06% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.99% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.40% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.07% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.96% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.04% | 96.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.35% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.90% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.84% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.41% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.15% | 83.82% |
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.
| Colchicum autumnale |
| PubChem | 162981501 |
| LOTUS | LTS0098018 |
| wikiData | Q105140124 |