(9,10-dihydroxy-6,6,9-trimethyl-11-oxo-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-12-yl)methyl acetate
| Internal ID | ffad1489-4b60-4b2f-8603-e5dc9374aea9 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (9,10-dihydroxy-6,6,9-trimethyl-11-oxo-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-12-yl)methyl acetate |
| SMILES (Canonical) | CC(=O)OCN1C2=CC=CC=C2C3=C(C1=O)C4C(CCC(C4O)(C)O)C(O3)(C)C |
| SMILES (Isomeric) | CC(=O)OCN1C2=CC=CC=C2C3=C(C1=O)C4C(CCC(C4O)(C)O)C(O3)(C)C |
| InChI | InChI=1S/C22H27NO6/c1-12(24)28-11-23-15-8-6-5-7-13(15)18-17(20(23)26)16-14(21(2,3)29-18)9-10-22(4,27)19(16)25/h5-8,14,16,19,25,27H,9-11H2,1-4H3 |
| InChI Key | WSNJPVCNURDQDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H27NO6 |
| Molecular Weight | 401.50 g/mol |
| Exact Mass | 401.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 96.30 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (9,10-dihydroxy-6,6,9-trimethyl-11-oxo-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-12-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d5241170-8623-11ee-8f41-f5efffd2064b.jpg "2D Structure of (9,10-dihydroxy-6,6,9-trimethyl-11-oxo-7,8,10,10a-tetrahydro-6aH-isochromeno[4,3-c]quinolin-12-yl)methyl 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 | 98.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.58% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.29% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.13% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.72% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.52% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.34% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.85% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.04% | 97.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.84% | 98.59% |
| CHEMBL5028 | O14672 | ADAM10 | 84.53% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.42% | 97.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.27% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.41% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.68% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.26% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.62% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.09% | 85.14% |
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.
| Halfordia kendack |
| PubChem | 162864843 |
| LOTUS | LTS0121463 |
| wikiData | Q105311982 |