(3R)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-2,3-dihydrochromen-4-one
| Internal ID | 1f0ed441-b935-427e-aa8a-b131701a0c0d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones |
| IUPAC Name | (3R)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1=CC(C(CC1)C(=C)C)C2=C(C3=C(C=C2O)OCC(C3=O)C4=CC=C(C=C4)O)O |
| SMILES (Isomeric) | CC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C3=C(C=C2O)OC[C@H](C3=O)C4=CC=C(C=C4)O)O |
| InChI | InChI=1S/C25H26O5/c1-13(2)17-9-4-14(3)10-18(17)22-20(27)11-21-23(25(22)29)24(28)19(12-30-21)15-5-7-16(26)8-6-15/h5-8,10-11,17-19,26-27,29H,1,4,9,12H2,2-3H3/t17-,18+,19-/m0/s1 |
| InChI Key | XLBUATZZGZPIMA-OTWHNJEPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of (3R)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/ccadc800-8279-11ee-892c-67a81f99a6ca.jpg "2D Structure of (3R)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-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 | 99.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.62% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.12% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.90% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.73% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.63% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.68% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.18% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.16% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.69% | 94.80% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.51% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.11% | 93.40% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.99% | 90.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.39% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.77% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.11% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.10% | 85.14% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.47% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.89% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.85% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.29% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.65% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.42% | 96.38% |
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.
| Morus cathayana |
| PubChem | 46844820 |
| LOTUS | LTS0181033 |
| wikiData | Q105329863 |