6-(2-Hydroperoxypropan-2-yl)-3,9-dihydroxy-11-methoxy-10-(3-methylbut-1-enyl)-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one
| Internal ID | 06343560-1e3e-464f-8a15-e7570cbe8972 |
| Taxonomy | Organoheterocyclic compounds > Benzoxepines |
| IUPAC Name | 6-(2-hydroperoxypropan-2-yl)-3,9-dihydroxy-11-methoxy-10-(3-methylbut-1-enyl)-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one |
| SMILES (Canonical) | CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC(C3)C(C)(C)OO)OC |
| SMILES (Isomeric) | CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC(C3)C(C)(C)OO)OC |
| InChI | InChI=1S/C26H28O8/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)34-30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-10,12-13,21,27-28,30H,11H2,1-5H3 |
| InChI Key | UYYZSBJGWJNBMX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H28O8 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 6-(2-Hydroperoxypropan-2-yl)-3,9-dihydroxy-11-methoxy-10-(3-methylbut-1-enyl)-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/378c0840-8550-11ee-9613-fd48c6a378e6.jpg "2D Structure of 6-(2-Hydroperoxypropan-2-yl)-3,9-dihydroxy-11-methoxy-10-(3-methylbut-1-enyl)-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one")
| 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 | 98.27% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.49% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.55% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.59% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.16% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.12% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.04% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.35% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.94% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.77% | 94.73% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.36% | 89.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.80% | 90.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.51% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.45% | 95.89% |
| CHEMBL3194 | P02766 | Transthyretin | 87.90% | 90.71% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 87.49% | 83.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.35% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.10% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.05% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.24% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.23% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.58% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.28% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.28% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.25% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.38% | 99.23% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.04% | 94.42% |
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.
| Artocarpus integer |
| PubChem | 162903222 |
| LOTUS | LTS0192235 |
| wikiData | Q105282056 |