5-Hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one
| Internal ID | 6d67f749-64f5-4fd4-b1e6-a05a47efc9a0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 5-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=CC(=C(C=C4OC)O)OC)O)CO |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2OC=C(C3=O)C4=CC(=C(C=C4OC)O)OC)O)CO |
| InChI | InChI=1S/C22H20O8/c1-22(10-23)5-4-11-17(30-22)8-15(25)19-20(26)13(9-29-21(11)19)12-6-18(28-3)14(24)7-16(12)27-2/h4-9,23-25H,10H2,1-3H3 |
| InChI Key | XHRAWCRTNOGRCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O8 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-3-4-hydroxy-25-dimethoxyphenyl-8-hydroxymethyl-8-methylpyrano23-hchromen-4-one.jpg "2D Structure of 5-Hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(hydroxymethyl)-8-methylpyrano[2,3-h]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 | 99.34% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.59% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.11% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.92% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.89% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.06% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.73% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.40% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.23% | 90.20% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.95% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.04% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.84% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.69% | 92.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.66% | 86.92% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.46% | 93.99% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.00% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.16% | 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.
| Millettia brandisiana |
| PubChem | 101447475 |
| LOTUS | LTS0057880 |
| wikiData | Q105328259 |