8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-one
| Internal ID | 84e32b66-fd10-4d7e-acd6-f83c28335c11 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Prenylated neoflavonoids |
| IUPAC Name | 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-one |
| SMILES (Canonical) | CCC(C)C(=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@@H](C)C(=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/c1-6-20(5)27(32)26-28(33)22(16-15-19(4)12-10-11-18(2)3)30-25(29(26)34)23(17-24(31)35-30)21-13-8-7-9-14-21/h7-9,11,13-15,17,20,33-34H,6,10,12,16H2,1-5H3/b19-15+/t20-/m1/s1 |
| InChI Key | IMVIXRODHNNZOZ-ZWUNQBBJSA-N |
| Popularity | 0 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 | 7.80 |
| There are no found synonyms. |
![2D Structure of 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-6-[(2R)-2-methylbutanoyl]-4-phenylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8-2e-37-dimethylocta-26-dienyl-57-dihydroxy-6-2r-2-methylbutanoyl-4-phenylchromen-2-one.jpg "2D Structure of 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-6-[(2R)-2-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 | 99.43% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.53% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 96.85% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.25% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.74% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.67% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.83% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.57% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.20% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.05% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.93% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.39% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.68% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.63% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.38% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.20% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.56% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.04% | 99.15% |
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 | 163032395 |
| LOTUS | LTS0268723 |
| wikiData | Q105115945 |