3-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | 571fc720-73e3-4548-8c62-7cbe263b0046 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | 3-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1O)C2COC3=CC(=CC(=C3C2=O)O)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=CC(=C1O)C2COC3=CC(=CC(=C3C2=O)O)O)O)C)C |
| InChI | InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-20(27)10-9-17(24(18)29)19-13-31-22-12-16(26)11-21(28)23(22)25(19)30/h5,7,9-12,19,26-29H,4,6,8,13H2,1-3H3 |
| InChI Key | APRUHIYSPZMKAG-UHFFFAOYSA-N |
| Popularity | 1 reference 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 | 6.00 |
| There are no found synonyms. |
![2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-37-dimethylocta-26-dienyl-24-dihydroxyphenyl-57-dihydroxy-23-dihydrochromen-4-one.jpg "2D Structure of 3-[3-(3,7-Dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]-5,7-dihydroxy-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 | 99.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.14% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.74% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 93.64% | 96.12% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.26% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.84% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.77% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.82% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.11% | 95.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.04% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.84% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.14% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.57% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.53% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.48% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.00% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.07% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.52% | 85.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.51% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.20% | 90.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.08% | 92.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.55% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.07% | 94.80% |
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.
| Campylotropis hirtella |
| PubChem | 74957398 |
| LOTUS | LTS0081457 |
| wikiData | Q104916507 |