(2S)-2-(3,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-ol
| Internal ID | c2ddf2e1-9d43-4b76-8d20-09a5caf5692f |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | (2S)-2-(3,5-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-5-ol |
| SMILES (Canonical) | COC1=CC(=CC(=C1)C2CCC3=C(C=C(C=C3O2)OC)O)OC |
| SMILES (Isomeric) | COC1=CC(=CC(=C1)[C@@H]2CCC3=C(C=C(C=C3O2)OC)O)OC |
| InChI | InChI=1S/C18H20O5/c1-20-12-6-11(7-13(8-12)21-2)17-5-4-15-16(19)9-14(22-3)10-18(15)23-17/h6-10,17,19H,4-5H2,1-3H3/t17-/m0/s1 |
| InChI Key | RZUPNNLCPKZXDD-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O5 |
| Molecular Weight | 316.30 g/mol |
| Exact Mass | 316.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
| 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 | 98.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.95% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.65% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.57% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.23% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.34% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.78% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.56% | 91.79% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.96% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.37% | 90.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.33% | 88.48% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.02% | 99.18% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.91% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.24% | 94.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 80.87% | 95.55% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.08% | 82.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.05% | 94.45% |
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.
| Cyperus conglomeratus |
| PubChem | 162974365 |
| LOTUS | LTS0084014 |
| wikiData | Q105248619 |