2,4-dihydroxy-7-methyl-8,14-dihydro-7H-benzo[e][2]benzoxecine-5,13-dione
| Internal ID | dff08f40-1a73-48d9-98f1-b5edd308d799 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 2,4-dihydroxy-7-methyl-8,14-dihydro-7H-benzo[e][2]benzoxecine-5,13-dione |
| SMILES (Canonical) | CC1CC2=CC=CC=C2C(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1 |
| SMILES (Isomeric) | CC1CC2=CC=CC=C2C(=O)CC3=C(C(=CC(=C3)O)O)C(=O)O1 |
| InChI | InChI=1S/C18H16O5/c1-10-6-11-4-2-3-5-14(11)15(20)8-12-7-13(19)9-16(21)17(12)18(22)23-10/h2-5,7,9-10,19,21H,6,8H2,1H3 |
| InChI Key | BMBJOTSBVCXPMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.30 g/mol |
| Exact Mass | 312.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2,4-dihydroxy-7-methyl-8,14-dihydro-7H-benzo[e][2]benzoxecine-5,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/24-dihydroxy-7-methyl-814-dihydro-7h-benzoe2benzoxecine-513-dione.jpg "2D Structure of 2,4-dihydroxy-7-methyl-8,14-dihydro-7H-benzo[e][2]benzoxecine-5,13-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.22% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.78% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.57% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.60% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.67% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.96% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.07% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.41% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.72% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.33% | 95.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.25% | 96.21% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.17% | 85.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.84% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.26% | 98.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.98% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.06% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.75% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.22% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.04% | 99.15% |
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.
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| There are no matching plants. |
| PubChem | 162972374 |
| LOTUS | LTS0069641 |
| wikiData | Q104086265 |