5,7-dimethoxy-2-methyl-8-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]chromen-4-one
| Internal ID | 1d0fa53e-fb8e-40bc-913d-485ca14d5e11 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | 5,7-dimethoxy-2-methyl-8-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H22O7/c1-8-6-9(18)12-10(22-4)7-11(23-5)13(15(12)24-8)14(19)16(20)17(2,3)21/h6-7,14,16,19-21H,1-5H3/t14-,16+/m1/s1 |
| InChI Key | GTZHXOCRVWBOOO-ZBFHGGJFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H22O7 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 5,7-dimethoxy-2-methyl-8-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dimethoxy-2-methyl-8-1r2s-123-trihydroxy-3-methylbutylchromen-4-one.jpg "2D Structure of 5,7-dimethoxy-2-methyl-8-[(1R,2S)-1,2,3-trihydroxy-3-methylbutyl]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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.31% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.32% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.61% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.20% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.78% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.76% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.21% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.07% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.68% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.86% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.02% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.61% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.75% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.26% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.18% | 97.14% |
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.
| Harrisonia perforata |
| PubChem | 162895910 |
| LOTUS | LTS0238989 |
| wikiData | Q105019752 |