5,7-Dihydroxy-6-(3-methylbutanoyl)-8-[(e)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2h-chromen-2-one
| Internal ID | e7abc832-daf2-4e7b-a44c-4d11c8bba9fc |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-6-(3-methylbutanoyl)-4-phenylchromen-2-one |
| SMILES (Canonical) | CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)CCC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O |
| SMILES (Isomeric) | CC(C)CC(=O)C1=C(C2=C(C(=C1O)C/C=C(\C)/CCC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O |
| InChI | InChI=1S/C30H34O5/c1-18(2)10-9-11-20(5)14-15-22-28(33)27(24(31)16-19(3)4)29(34)26-23(17-25(32)35-30(22)26)21-12-7-6-8-13-21/h6-8,10,12-14,17,19,33-34H,9,11,15-16H2,1-5H3/b20-14+ |
| InChI Key | VRRSSMIKCUVMEF-XSFVSMFZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H34O5 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-6-(3-methylbutanoyl)-8-[(e)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2h-chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/57-dihydroxy-6-3-methylbutanoyl-8-e-37-dimethylocta-26-dienyl-4-phenyl-2h-chromen-2-one.jpg "2D Structure of 5,7-Dihydroxy-6-(3-methylbutanoyl)-8-[(e)-3,7-dimethylocta-2,6-dienyl]-4-phenyl-2h-chromen-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 | 99.32% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.69% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.97% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.70% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.22% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.32% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.35% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.30% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.61% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.99% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.33% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.71% | 90.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.12% | 97.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.01% | 85.14% |
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.
| Mesua ferrea |
| PubChem | 21579160 |
| LOTUS | LTS0190267 |
| wikiData | Q105291928 |