5-Hydroxy-7,8-dimethoxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
| Internal ID | b75b00d0-5896-4269-9f7b-366f7b7f6589 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids |
| IUPAC Name | 5-hydroxy-7,8-dimethoxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one |
| SMILES (Canonical) | COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3OC4C(C(C(C(O4)CO)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3OC4C(C(C(C(O4)CO)O)O)O)OC |
| InChI | InChI=1S/C23H24O11/c1-30-15-8-12(26)17-11(25)7-14(32-22(17)21(15)31-2)10-5-3-4-6-13(10)33-23-20(29)19(28)18(27)16(9-24)34-23/h3-8,16,18-20,23-24,26-29H,9H2,1-2H3 |
| InChI Key | UIDKZSCQWVGRNB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O11 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 476.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 164.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-7,8-dimethoxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-78-dimethoxy-2-2-345-trihydroxy-6-hydroxymethyloxan-2-yloxyphenylchromen-4-one.jpg "2D Structure of 5-Hydroxy-7,8-dimethoxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one")
| 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 | 99.11% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.15% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.66% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.12% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.40% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.56% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.21% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.09% | 96.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 86.18% | 95.83% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.23% | 96.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.35% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.35% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.02% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.66% | 99.15% |
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.
| Andrographis echioides |
| Andrographis elongata |
| Andrographis paniculata |
| PubChem | 74977899 |
| LOTUS | LTS0197624 |
| wikiData | Q105273280 |