4,8-Dihydroxy-6-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydroxanthen-9-one
| Internal ID | af0d6b98-3b35-40ad-9d98-bad9bcdfcc30 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 4,8-dihydroxy-6-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydroxanthen-9-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3=C(C2=O)C(CCC3O)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC3=C(C2=O)C(CCC3O)OC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C20H24O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h4-5,8,10,12,15,17-18,20-24,26-27H,2-3,6H2,1H3 |
| InChI Key | FOVMRYXSQHNGSU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O11 |
| Molecular Weight | 440.40 g/mol |
| Exact Mass | 440.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of 4,8-Dihydroxy-6-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydroxanthen-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/df457030-8532-11ee-aac7-559aea2aca0f.jpg "2D Structure of 4,8-Dihydroxy-6-methoxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydroxanthen-9-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 | 99.55% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.21% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.42% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.75% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.84% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.42% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.21% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.02% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.66% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.89% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.94% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.56% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.57% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.96% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.48% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.45% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.18% | 97.36% |
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.
| Swertia japonica |
| Swertia pseudochinensis |
| PubChem | 163037619 |
| LOTUS | LTS0125171 |
| wikiData | Q104998978 |