4-[7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,3-diol
| Internal ID | 2a9234b3-e0a3-42fc-bc9c-a3f37a4a8606 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids |
| IUPAC Name | 4-[7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,3-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=C2C(=C1)CC(CO2)C3=CC(=C(C=C3O)O)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C2C(=C1)CC(CO2)C3=CC(=C(C=C3O)O)OC)O)C |
| InChI | InChI=1S/C21H24O5/c1-12(2)4-5-13-6-14-7-15(11-26-20(14)10-17(13)22)16-8-21(25-3)19(24)9-18(16)23/h4,6,8-10,15,22-24H,5,7,11H2,1-3H3 |
| InChI Key | ZEYGPIZPJVPIMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 4-[7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-hydroxy-6-3-methylbut-2-enyl-34-dihydro-2h-chromen-3-yl-6-methoxybenzene-13-diol.jpg "2D Structure of 4-[7-hydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-6-methoxybenzene-1,3-diol")
| 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 | 99.23% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.24% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.33% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.82% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.17% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.76% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.58% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.55% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.23% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.02% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.25% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.19% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.39% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.32% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.26% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.96% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.61% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.13% | 97.09% |
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.
| Lespedeza cyrtobotrya |
| PubChem | 56679475 |
| LOTUS | LTS0170049 |
| wikiData | Q105373846 |