Isotorachrysone peracetate
| Internal ID | ed984f0f-d4c0-4a9e-92c4-b81ab9f274e6 |
| Taxonomy | Benzenoids > Naphthalenes |
| IUPAC Name | (6-acetyl-5-acetyloxy-4-methoxy-7-methylnaphthalen-2-yl) acetate |
| SMILES (Canonical) | CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)OC(=O)C)OC)OC(=O)C |
| SMILES (Isomeric) | CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)OC(=O)C)OC)OC(=O)C |
| InChI | InChI=1S/C18H18O6/c1-9-6-13-7-14(23-11(3)20)8-15(22-5)17(13)18(24-12(4)21)16(9)10(2)19/h6-8H,1-5H3 |
| InChI Key | GXAOBNBMYYIETJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H18O6 |
| Molecular Weight | 330.30 g/mol |
| Exact Mass | 330.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.70 |
| CHEMBL455376 |
| 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 | 93.51% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.32% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.84% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.79% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.75% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.45% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.35% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.79% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.69% | 95.50% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 83.40% | 95.39% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.54% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.53% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.18% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.89% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.28% | 92.68% |
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.
| There are no matching plants. |
| PubChem | 10520436 |
| LOTUS | LTS0088199 |
| wikiData | Q105022940 |