8-(7-Hydroxy-2-oxochromen-8-yl)-3-(2-oxochromen-7-yl)oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-2-one
| Internal ID | b26dc169-77a3-4438-8d18-5dd3e8c8cabc |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | 8-(7-hydroxy-2-oxochromen-8-yl)-3-(2-oxochromen-7-yl)oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-2-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C=C(C(=O)O3)OC4=CC5=C(C=C4)C=CC(=O)O5)C6=C(C=CC7=C6OC(=O)C=C7)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C=C(C(=O)O3)OC4=CC5=C(C=C4)C=CC(=O)O5)C6=C(C=CC7=C6OC(=O)C=C7)O)O)O)O |
| InChI | InChI=1S/C33H24O13/c1-14-27(37)28(38)29(39)33(41-14)44-20-9-4-17-12-22(42-18-7-2-15-5-10-23(35)43-21(15)13-18)32(40)46-31(17)26(20)25-19(34)8-3-16-6-11-24(36)45-30(16)25/h2-14,27-29,33-34,37-39H,1H3 |
| InChI Key | OHRCJYHQDRFPOM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H24O13 |
| Molecular Weight | 628.50 g/mol |
| Exact Mass | 628.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 188.00 Ų |
| XlogP | 3.20 |
| 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 | 99.65% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.57% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.77% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.74% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.24% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.04% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.52% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.61% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.29% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.18% | 96.21% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.95% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.81% | 89.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.18% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.17% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.94% | 80.78% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.85% | 83.57% |
| CHEMBL3194 | P02766 | Transthyretin | 84.61% | 90.71% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.09% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.09% | 98.75% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.71% | 96.47% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.29% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.11% | 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.
| Daphne mezereum |
| PubChem | 14730856 |
| LOTUS | LTS0106019 |
| wikiData | Q105192221 |