5-Hydroxy-2-(2-hydroxyphenyl)-8-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 01c84df9-5d2a-42fa-a227-bcfca05a9b3b |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 5-hydroxy-2-(2-hydroxyphenyl)-8-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)OC4C(C(C(C(O4)CO)O)O)O |
SMILES (Isomeric) | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3O)O)OC4C(C(C(C(O4)CO)O)O)O |
InChI | InChI=1S/C22H22O11/c1-30-20-14(32-22-19(29)18(28)17(27)15(8-23)33-22)7-12(26)16-11(25)6-13(31-21(16)20)9-4-2-3-5-10(9)24/h2-7,15,17-19,22-24,26-29H,8H2,1H3 |
InChI Key | ZREMOZUHVILNPD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O11 |
Molecular Weight | 462.40 g/mol |
Exact Mass | 462.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 175.00 Ų |
XlogP | 0.80 |
There are no found synonyms. |
![2D Structure of 5-Hydroxy-2-(2-hydroxyphenyl)-8-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2D Structure of 5-Hydroxy-2-(2-hydroxyphenyl)-8-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/d5216080-8729-11ee-9419-fff93929a9d9.jpg)
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 | 99.17% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.87% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.57% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.07% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.52% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.22% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 90.22% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.62% | 99.17% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.33% | 96.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.13% | 94.73% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.61% | 95.83% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.42% | 96.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.61% | 96.21% |
CHEMBL2535 | P11166 | Glucose transporter | 83.82% | 98.75% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.59% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.56% | 99.15% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.92% | 99.23% |
CHEMBL3194 | P02766 | Transthyretin | 80.78% | 90.71% |
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.
Quercus macrocarpa |
Scutellaria amabilis |
PubChem | 73043778 |
LOTUS | LTS0193484 |
wikiData | Q105381921 |