5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
| Internal ID | 78ee8226-4e05-476a-b4d6-00b677c11944 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O |
| InChI | InChI=1S/C25H26O5/c1-5-15(4)22(27)21-23(28)17(12-11-14(2)3)25-20(24(21)29)18(13-19(26)30-25)16-9-7-6-8-10-16/h6-11,13,15,28-29H,5,12H2,1-4H3/t15-/m1/s1 |
| InChI Key | YALRCXHVQYBSJC-OAHLLOKOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-6-2r-2-methylbutanoyl-8-3-methylbut-2-enyl-4-phenylchromen-2-one.jpg "2D Structure of 5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)-4-phenylchromen-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.26% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.01% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.63% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.50% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.45% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.90% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.07% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.21% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.37% | 96.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.37% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.58% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.55% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.92% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.91% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.66% | 97.21% |
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.
| Mammea americana |
| Mesua beccariana |
| Mesua ferrea |
| Mesua racemosa |
| PubChem | 162892135 |
| LOTUS | LTS0157964 |
| wikiData | Q105345444 |