7-Hydroxy-3-[3-hydroxy-4-[(2,2,6-trimethylcyclohexyl)methoxy]phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | bc5afca6-fffc-450b-8379-803d6a5628bc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 8-prenylated isoflavanones |
| IUPAC Name | 7-hydroxy-3-[3-hydroxy-4-[(2,2,6-trimethylcyclohexyl)methoxy]phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC1CCCC(C1COC2=C(C=C(C=C2)C3COC4=C(C3=O)C=CC(=C4CC=C(C)C)O)O)(C)C |
| SMILES (Isomeric) | CC1CCCC(C1COC2=C(C=C(C=C2)C3COC4=C(C3=O)C=CC(=C4CC=C(C)C)O)O)(C)C |
| InChI | InChI=1S/C30H38O5/c1-18(2)8-10-21-25(31)12-11-22-28(33)23(16-35-29(21)22)20-9-13-27(26(32)15-20)34-17-24-19(3)7-6-14-30(24,4)5/h8-9,11-13,15,19,23-24,31-32H,6-7,10,14,16-17H2,1-5H3 |
| InChI Key | KLAFWIPSUKZZLL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H38O5 |
| Molecular Weight | 478.60 g/mol |
| Exact Mass | 478.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-3-[3-hydroxy-4-[(2,2,6-trimethylcyclohexyl)methoxy]phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8c970e50-85c0-11ee-9ee3-892854fd2394.jpg "2D Structure of 7-Hydroxy-3-[3-hydroxy-4-[(2,2,6-trimethylcyclohexyl)methoxy]phenyl]-8-(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 | 99.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.89% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.82% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.47% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.24% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.18% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.43% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.70% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.83% | 93.40% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.50% | 83.82% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.21% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.21% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.09% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.08% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.26% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.18% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.05% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.28% | 95.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.11% | 96.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.72% | 80.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.34% | 98.75% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.16% | 97.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.68% | 99.17% |
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.
| Glycyrrhiza glabra |
| PubChem | 162987581 |
| LOTUS | LTS0159552 |
| wikiData | Q105142471 |