2,10-dihydroxy-1,3-dimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
| Internal ID | ed61da21-2ec9-4c8d-bb51-f70c2b5e8259 |
| Taxonomy | Hydrocarbon derivatives > Tropones > Tropolones |
| IUPAC Name | 2,10-dihydroxy-1,3-dimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| SMILES (Canonical) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)O)OC |
| SMILES (Isomeric) | CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)O)OC |
| InChI | InChI=1S/C19H21NO5/c1-20-13-6-4-10-8-16(24-2)18(23)19(25-3)17(10)11-5-7-14(21)15(22)9-12(11)13/h5,7-9,13,20,23H,4,6H2,1-3H3,(H,21,22) |
| InChI Key | OLTGXKFEPBOIDY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 88.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 2,10-dihydroxy-1,3-dimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/210-dihydroxy-13-dimethoxy-7-methylamino-67-dihydro-5h-benzoaheptalen-9-one.jpg "2D Structure of 2,10-dihydroxy-1,3-dimethoxy-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 | 99.28% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.24% | 91.49% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.00% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.57% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.32% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.16% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.33% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.16% | 95.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.83% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.26% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.20% | 99.15% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.98% | 98.11% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.58% | 93.03% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.09% | 91.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.65% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.09% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.87% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.30% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.03% | 86.33% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.24% | 91.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.29% | 91.19% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.20% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.53% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.44% | 99.23% |
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 bivonae |
| PubChem | 162915031 |
| LOTUS | LTS0229924 |
| wikiData | Q105194118 |