6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one
| Internal ID | 0e53b3f0-754b-4080-be3e-29f3bfb3abc9 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one |
| SMILES (Canonical) | CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)CCC=C(C)C)O |
| SMILES (Isomeric) | CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)C/C=C(\C)/CCC=C(C)C)O |
| InChI | InChI=1S/C30H34O5/c1-18(2)10-9-11-20(5)14-15-22-28(33)26-23(21-12-7-6-8-13-21)17-25(32)35-30(26)27(29(22)34)24(31)16-19(3)4/h6-8,10,12-14,17,19,33-34H,9,11,15-16H2,1-5H3/b20-14+ |
| InChI Key | DDEGGXJLPSRCOB-XSFVSMFZSA-N |
| Popularity | 2 references 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 |
| BDBM50330759 |
![2D Structure of 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-2e-37-dimethylocta-26-dienyl-57-dihydroxy-8-3-methylbutanoyl-4-phenylchromen-2-one.jpg "2D Structure of 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbutanoyl)-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 | 99.54% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.57% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.98% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.99% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.74% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.72% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.25% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.75% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.53% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.41% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.48% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.99% | 99.15% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.36% | 97.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.33% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.92% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.89% | 90.17% |
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 | 23250952 |
| LOTUS | LTS0120931 |
| wikiData | Q104976275 |