2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
| Internal ID | 552edb82-d2d1-42eb-bc7e-f860cdd709c9 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)OC)OC)C4=CC(=C(C=C4)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)OC)OC)C4=CC(=C(C=C4)O)O)O)O)O |
| InChI | InChI=1S/C23H24O12/c1-8-15(26)18(29)19(30)23(33-8)35-22-17(28)14-12(7-13(31-2)21(32-3)16(14)27)34-20(22)9-4-5-10(24)11(25)6-9/h4-8,15,18-19,23-27,29-30H,1-3H3 |
| InChI Key | NVZCGVLCUJLTSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O12 |
| Molecular Weight | 492.40 g/mol |
| Exact Mass | 492.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 1.20 |
| DTXSID20552970 |
| 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 | 99.54% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.73% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.68% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.58% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.01% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.70% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.80% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.49% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.42% | 96.09% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.65% | 95.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.30% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.12% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.69% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.47% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 83.24% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.13% | 80.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.97% | 99.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.20% | 94.03% |
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.
| Ageratina calophylla |
| Brickellia vernicosa |
| Stevia vaga |
| PubChem | 13942478 |
| LOTUS | LTS0197844 |
| wikiData | Q105186490 |