(3R)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
| Internal ID | 3888c763-88fb-43f2-bdc0-42cf9e1ea21d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (3R)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C=CC(=C3)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)[C@@H]2COC3=C(C2=O)C=CC(=C3)O)/C)C |
| InChI | InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-17-11-20(23(28)13-22(17)27)21-14-30-24-12-18(26)9-10-19(24)25(21)29/h5,7,9-13,21,26-28H,4,6,8,14H2,1-3H3/b16-7+/t21-/m0/s1 |
| InChI Key | HGFVLVLDRQUNFD-GSWGVQEBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (3R)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r-3-5-2e-37-dimethylocta-26-dienyl-24-dihydroxyphenyl-7-hydroxy-23-dihydrochromen-4-one.jpg "2D Structure of (3R)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-7-hydroxy-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 | 99.35% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.92% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.35% | 93.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.33% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.82% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.52% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.36% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.79% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.33% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.28% | 92.08% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.54% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.35% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.01% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.03% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.76% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.39% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.78% | 91.49% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.54% | 85.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.88% | 85.14% |
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.
| Sophora prostrata |
| PubChem | 162877175 |
| LOTUS | LTS0144885 |
| wikiData | Q105027716 |