(5-Hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl) 2,3,4,5-tetrahydroxy-6-oxohexanoate
| Internal ID | ba77e79c-6d6b-4d8e-b54b-40aa645e154c |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | (5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl) 2,3,4,5-tetrahydroxy-6-oxohexanoate |
| SMILES (Canonical) | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC(=O)C(C(C(C(C=O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)OC(=O)C(C(C(C(C=O)O)O)O)O |
| InChI | InChI=1S/C22H20O11/c1-31-20-15(33-22(30)19(29)18(28)17(27)13(26)9-23)8-12(25)16-11(24)7-14(32-21(16)20)10-5-3-2-4-6-10/h2-9,13,17-19,25-29H,1H3 |
| InChI Key | ORCNZQFUOUOAKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O11 |
| Molecular Weight | 460.40 g/mol |
| Exact Mass | 460.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 0.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.02% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.95% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.69% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.92% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.75% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.70% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.06% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.62% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.47% | 99.23% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 86.28% | 91.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.47% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.42% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.04% | 98.75% |
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.
| Scutellaria baicalensis |
| PubChem | 163052804 |
| LOTUS | LTS0247042 |
| wikiData | Q105197381 |