8-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-9-[(4-methoxyphenyl)methyl]-9H-xanthene-2,3,6-triol
| Internal ID | 6e4797f5-d9dc-4227-9967-d3d08243bc2f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | 8-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-9-[(4-methoxyphenyl)methyl]-9H-xanthene-2,3,6-triol |
| SMILES (Canonical) | COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3OC4=CC(=CC(=C24)CCC5=CC=C(C=C5)O)O)OC)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3OC4=CC(=CC(=C24)CCC5=CC=C(C=C5)O)O)OC)O)O |
| InChI | InChI=1S/C30H28O7/c1-35-22-11-6-18(7-12-22)13-23-24-16-25(33)28(34)30(36-2)29(24)37-26-15-21(32)14-19(27(23)26)8-3-17-4-9-20(31)10-5-17/h4-7,9-12,14-16,23,31-34H,3,8,13H2,1-2H3 |
| InChI Key | QILNUBQFEXUGCF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O7 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 8-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-9-[(4-methoxyphenyl)methyl]-9H-xanthene-2,3,6-triol](https://plantaedb.com/storage/docs/compounds/2023/11/8-2-4-hydroxyphenylethyl-4-methoxy-9-4-methoxyphenylmethyl-9h-xanthene-236-triol.jpg "2D Structure of 8-[2-(4-hydroxyphenyl)ethyl]-4-methoxy-9-[(4-methoxyphenyl)methyl]-9H-xanthene-2,3,6-triol")
| 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 | 99.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 95.55% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.37% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.63% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.92% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.99% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.80% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.68% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.30% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.95% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.93% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.94% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.27% | 95.56% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 84.22% | 91.96% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.71% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.46% | 93.99% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.14% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.41% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.31% | 98.75% |
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.
| Dendrobium falconeri |
| PubChem | 42632546 |
| LOTUS | LTS0070792 |
| wikiData | Q105221485 |