6,8-dihydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-naphthalen-1-one
| Internal ID | 530c9447-d9c0-4599-9a17-e5ac2cc9e9be |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | 6,8-dihydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-naphthalen-1-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3C2)O)C4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3C2)O)C4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C23H24O9/c1-31-13-4-2-10(3-5-13)11-6-12-8-15(26)18(20(28)17(12)14(25)7-11)23-22(30)21(29)19(27)16(9-24)32-23/h2-5,7-8,16,19,21-24,26-30H,6,9H2,1H3 |
| InChI Key | UMZFQCHAQFPSIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O9 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 6,8-dihydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-naphthalen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/c5311320-86d8-11ee-940d-33ec90775ab6.jpg "2D Structure of 6,8-dihydroxy-3-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-naphthalen-1-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 | 99.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.99% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.71% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.31% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.98% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.69% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.16% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.16% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.12% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.17% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.57% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.06% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.55% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.87% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.57% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.60% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.96% | 96.21% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.60% | 91.96% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.02% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.55% | 94.73% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.93% | 92.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.57% | 95.89% |
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.
| Eutrema salsugineum |
| PubChem | 162923907 |
| LOTUS | LTS0082289 |
| wikiData | Q105275842 |