N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide
| Internal ID | fd2e76b8-d4f6-4308-b795-a805f98d3980 |
| Taxonomy | Hydrocarbon derivatives > Tropones |
| IUPAC Name | N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide |
| SMILES (Canonical) | COC1=CC=C2C(=CC1=O)C(C(CC3=CC(=C(C(=C32)OC)OC)OC)O)NC=O |
| SMILES (Isomeric) | COC1=CC=C2C(=CC1=O)[C@H]([C@@H](CC3=CC(=C(C(=C32)OC)OC)OC)O)NC=O |
| InChI | InChI=1S/C21H23NO7/c1-26-16-6-5-12-13(9-14(16)24)19(22-10-23)15(25)7-11-8-17(27-2)20(28-3)21(29-4)18(11)12/h5-6,8-10,15,19,25H,7H2,1-4H3,(H,22,23)/t15-,19-/m1/s1 |
| InChI Key | KOKPZONJZSGYIV-DNVCBOLYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO7 |
| Molecular Weight | 401.40 g/mol |
| Exact Mass | 401.14745207 g/mol |
| Topological Polar Surface Area (TPSA) | 103.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-6r7r-6-hydroxy-12310-tetramethoxy-9-oxo-67-dihydro-5h-benzoaheptalen-7-ylformamide.jpg "2D Structure of N-[(6R,7R)-6-hydroxy-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.19% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.77% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.56% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.99% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.78% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.64% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.00% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.52% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.24% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.52% | 91.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.58% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.36% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.97% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.94% | 91.19% |
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.
| Gloriosa superba |
| PubChem | 101448419 |
| LOTUS | LTS0088272 |
| wikiData | Q105143857 |