[2-[(2-acetyloxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]-2-oxoethyl] acetate
| Internal ID | 4b685f13-2e51-4b8a-aa00-7626d8249c3d |
| Taxonomy | Hydrocarbon derivatives > Tropones |
| IUPAC Name | [2-[(2-acetyloxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]-2-oxoethyl] acetate |
| SMILES (Canonical) | CC(=O)OCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)OCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC |
| InChI | InChI=1S/C25H27NO9/c1-13(27)34-12-22(30)26-18-8-6-15-10-21(32-4)24(35-14(2)28)25(33-5)23(15)16-7-9-20(31-3)19(29)11-17(16)18/h7,9-11,18H,6,8,12H2,1-5H3,(H,26,30) |
| InChI Key | QVBYIIBWPDINIH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H27NO9 |
| Molecular Weight | 485.50 g/mol |
| Exact Mass | 485.16858144 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [2-[(2-acetyloxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]-2-oxoethyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2ef8f6e0-8648-11ee-8015-595b8d6231e5.jpg "2D Structure of [2-[(2-acetyloxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)amino]-2-oxoethyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.18% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.82% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.66% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.64% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.54% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.52% | 98.75% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.81% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.17% | 90.71% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 89.61% | 96.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.36% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.35% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.82% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.56% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.34% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.23% | 95.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.78% | 93.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.60% | 91.19% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.21% | 91.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.17% | 92.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.86% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.19% | 94.45% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.06% | 92.38% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.28% | 96.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.42% | 94.33% |
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 | 162892290 |
| LOTUS | LTS0161322 |
| wikiData | Q105228556 |