2-[3-(3,7-Dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 8dd24b75-d759-49d3-8c76-c86ea259cb00 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | 2-[3-(3,7-dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)C)C |
| InChI | InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-11-20-13-21(14-25(33)29(20)34)26-16-24(32)28-27(36-26)15-23(31)22(30(28)35)12-9-18(3)4/h7,9-10,13-15,26,31,33-35H,6,8,11-12,16H2,1-5H3 |
| InChI Key | LFIGQOMCYZOIQK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O6 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 2-[3-(3,7-Dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7fd29e80-8573-11ee-b561-077c54b74fde.jpg "2D Structure of 2-[3-(3,7-Dimethylocta-2,6-dienyl)-4,5-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.76% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.25% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.27% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.79% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.40% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.06% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.70% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.53% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.45% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.23% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.08% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.97% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.13% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.60% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.30% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.02% | 94.80% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.24% | 96.12% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.20% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.79% | 90.00% |
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.
| Schizolaena hystrix |
| PubChem | 72972306 |
| LOTUS | LTS0107187 |
| wikiData | Q105151024 |