8-butanoyl-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-phenylchromen-2-one
| Internal ID | cf76af1a-0b52-4b55-b02d-2e08ae08146d |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 8-butanoyl-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-phenylchromen-2-one |
| SMILES (Canonical) | CCCC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC(C(=C)C)O)O |
| SMILES (Isomeric) | CCCC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)C[C@H](C(=C)C)O)O |
| InChI | InChI=1S/C24H24O6/c1-4-8-17(25)21-23(29)16(11-18(26)13(2)3)22(28)20-15(12-19(27)30-24(20)21)14-9-6-5-7-10-14/h5-7,9-10,12,18,26,28-29H,2,4,8,11H2,1,3H3/t18-/m1/s1 |
| InChI Key | XSNRTHHONWPPCD-GOSISDBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O6 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 8-butanoyl-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-phenylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-butanoyl-57-dihydroxy-6-2r-2-hydroxy-3-methylbut-3-enyl-4-phenylchromen-2-one.jpg "2D Structure of 8-butanoyl-5,7-dihydroxy-6-[(2R)-2-hydroxy-3-methylbut-3-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 | 99.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.90% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.54% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.94% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.05% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.19% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.19% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.40% | 99.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.23% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.08% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.66% | 97.21% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.57% | 92.08% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.58% | 89.34% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.06% | 91.49% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.50% | 92.29% |
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.
| Barringtonia racemosa |
| Mesua racemosa |
| PubChem | 162983762 |
| LOTUS | LTS0157882 |
| wikiData | Q105341129 |