2-[2-(3,7-Dimethyl-2,6-octadien-1-yl)-3,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
| Internal ID | 6e2659f8-ca5f-42f9-b6c5-acaaf523a422 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones |
| IUPAC Name | 2-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C |
| InChI | InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-17(9-10-19(27)25(18)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3 |
| InChI Key | ILCMVLORKWIOOH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O6 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 5.80 |
| 2-[2-(3,7-Dimethyl-2,6-octadien-1-yl)-3,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one |
| 910617-08-2 |
![2D Structure of 2-[2-(3,7-Dimethyl-2,6-octadien-1-yl)-3,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/97d01e60-875d-11ee-bc7b-271b79490374.jpg "2D Structure of 2-[2-(3,7-Dimethyl-2,6-octadien-1-yl)-3,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-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 | 99.59% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.88% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 96.75% | 96.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.50% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.52% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.82% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.93% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.79% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.46% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.78% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.54% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.17% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.13% | 90.71% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 85.21% | 83.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.68% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.48% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.24% | 92.08% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.96% | 98.11% |
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.
| Artocarpus altilis |
| Macaranga tanarius |
| PubChem | 66839862 |
| LOTUS | LTS0193136 |
| wikiData | Q105115090 |