4-[7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
| Internal ID | ec3f0efc-2a89-4d6d-8914-413176d59e2b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids |
| IUPAC Name | 4-[7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C(C(=C1)C2C(COC3=C2C=CC(=C3)O)C4=C(C=C(C=C4)OC)O)O)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C(C(=C1)C2C(COC3=C2C=CC(=C3)O)C4=C(C=C(C=C4)OC)O)O)O |
| InChI | InChI=1S/C27H28O6/c1-5-27(2,3)21-12-19(23(30)13-24(21)31)26-18-8-6-15(28)10-25(18)33-14-20(26)17-9-7-16(32-4)11-22(17)29/h5-13,20,26,28-31H,1,14H2,2-4H3 |
| InChI Key | VHXUYQLQLXQKKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H28O6 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of 4-[7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/95c60000-86e2-11ee-997d-d3c7701d653e.jpg "2D Structure of 4-[7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-(2-methylbut-3-en-2-yl)benzene-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 | 99.06% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.89% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.22% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.75% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.33% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.79% | 91.07% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 88.53% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.15% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.94% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.97% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.23% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.14% | 99.17% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.02% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.97% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.46% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.80% | 91.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.23% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.76% | 83.82% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.36% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.25% | 95.93% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.12% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.95% | 95.89% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.91% | 91.96% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.53% | 92.94% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.23% | 83.14% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.59% | 97.14% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 80.20% | 81.29% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.07% | 83.57% |
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.
| Maackia tenuifolia |
| PubChem | 163106293 |
| LOTUS | LTS0072929 |
| wikiData | Q105286678 |