9-Methoxy-7-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one
| Internal ID | d837e87f-a841-4295-9bce-8a5fedb2b3da |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 9-methoxy-7-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H24O12/c1-30-13-5-10(3-4-12(13)35-24-21(29)20(28)19(27)16(7-25)36-24)11-8-32-14-6-15-22(34-9-33-15)23(31-2)17(14)18(11)26/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3 |
| InChI Key | KLWNTVOUNRWTLN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O12 |
| Molecular Weight | 504.40 g/mol |
| Exact Mass | 504.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of 9-Methoxy-7-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/35fc94a0-8650-11ee-b550-5d2be8cbc8c3.jpg "2D Structure of 9-Methoxy-7-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-[1,3]dioxolo[4,5-g]chromen-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 96.34% | 92.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.02% | 96.77% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.43% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.95% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.05% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.35% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.08% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.74% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.27% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.30% | 83.82% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.22% | 82.67% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.18% | 95.12% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.83% | 95.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.52% | 97.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.31% | 95.53% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 84.99% | 92.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.62% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.40% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.04% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.86% | 90.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.76% | 95.83% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.65% | 86.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 162910152 |
| LOTUS | LTS0216284 |
| wikiData | Q104888531 |