4-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
| Internal ID | 15ebf334-e69a-46a8-8b7a-86ba1815ba59 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
| IUPAC Name | 4-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)OC)OC2)O)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C(C(=C1)[C@@H]2CC3=C(C=C(C=C3)OC)OC2)O)O |
| InChI | InChI=1S/C21H24O4/c1-5-21(2,3)17-10-16(18(22)11-19(17)23)14-8-13-6-7-15(24-4)9-20(13)25-12-14/h5-7,9-11,14,22-23H,1,8,12H2,2-4H3/t14-/m1/s1 |
| InChI Key | IKCMROMNPXQPQU-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O4 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 4-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3s-7-methoxy-34-dihydro-2h-chromen-3-yl-6-2-methylbut-3-en-2-ylbenzene-13-diol.jpg "2D Structure of 4-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-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 | 99.09% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 94.96% | 89.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.62% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.78% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.76% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.02% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.50% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.24% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.22% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.19% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.90% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.74% | 100.00% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 87.34% | 81.29% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.30% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.52% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.57% | 92.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.99% | 91.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.88% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.30% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.55% | 97.93% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.09% | 91.00% |
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.
| Dalea aurea |
| PubChem | 11859079 |
| LOTUS | LTS0118753 |
| wikiData | Q105114289 |