8-Hydroxy-3-(2-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one
| Internal ID | 0022d4fa-5d87-4eb1-b052-920c65572069 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxanes > Phenylbenzodioxanes > Phenylbenzo-1,4-dioxanes |
| IUPAC Name | 8-hydroxy-3-(2-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one |
| SMILES (Canonical) | COC1=CC=CC(=C1O)C2C(OC3=C4C(=CC(=C3O2)OC)C(=O)C5=C(C=CC=C5O4)O)CO |
| SMILES (Isomeric) | COC1=CC=CC(=C1O)C2C(OC3=C4C(=CC(=C3O2)OC)C(=O)C5=C(C=CC=C5O4)O)CO |
| InChI | InChI=1S/C24H20O9/c1-29-15-8-3-5-11(19(15)27)21-17(10-25)32-24-22-12(9-16(30-2)23(24)33-21)20(28)18-13(26)6-4-7-14(18)31-22/h3-9,17,21,25-27H,10H2,1-2H3 |
| InChI Key | QSJCSEZWTTXFSZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O9 |
| Molecular Weight | 452.40 g/mol |
| Exact Mass | 452.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-3-(2-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/29aa3230-8727-11ee-9573-cf5f7a730f6b.jpg "2D Structure of 8-Hydroxy-3-(2-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-c]xanthen-7-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 | 99.26% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.72% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.18% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.88% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.83% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.28% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.53% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.26% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.81% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.64% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.23% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.51% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.50% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.27% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.01% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.91% | 94.03% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.85% | 97.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.15% | 93.31% |
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.
| Hypericum henryi |
| PubChem | 163068320 |
| LOTUS | LTS0226451 |
| wikiData | Q105227046 |