2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
| Internal ID | 9da2082e-be32-4c1d-96e9-4804fbc9b6fa |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)C)C4=CC(=C(C=C4)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)C)C4=CC(=C(C=C4)O)O)O)O)O |
| InChI | InChI=1S/C22H22O10/c1-8-5-13(25)15-14(6-8)31-20(10-3-4-11(23)12(24)7-10)21(17(15)27)32-22-19(29)18(28)16(26)9(2)30-22/h3-7,9,16,18-19,22-26,28-29H,1-2H3 |
| InChI Key | OHGOCMSNMZSHDG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O10 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.51% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.85% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.85% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.19% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.04% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.45% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.72% | 95.64% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.82% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.78% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.00% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.19% | 93.65% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.72% | 90.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.43% | 97.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.30% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.10% | 94.80% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.11% | 95.78% |
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.
| Euphorbia hirta |
| Psorospermum adamauense |
| Psorospermum glaberrimum |
| Psorospermum tenuifolium |
| PubChem | 163043573 |
| LOTUS | LTS0164671 |
| wikiData | Q104991204 |