(2S)-2-(3-hydroxy-5-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-5,7-diol
| Internal ID | 57ffbd41-e76e-441d-8e59-9b97c2a7cd68 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans |
| IUPAC Name | (2S)-2-(3-hydroxy-5-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-5,7-diol |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C2=C1OC(CC2)C3=CC(=CC(=C3)OC)O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2)C3=CC(=CC(=C3)OC)O)O)O)C |
| InChI | InChI=1S/C21H24O5/c1-12(2)4-5-16-18(23)11-19(24)17-6-7-20(26-21(16)17)13-8-14(22)10-15(9-13)25-3/h4,8-11,20,22-24H,5-7H2,1-3H3/t20-/m0/s1 |
| InChI Key | HGORYRLTYUTUHO-FQEVSTJZSA-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 | 4.60 |
| 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 | 99.47% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.87% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.47% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.77% | 99.17% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.02% | 96.12% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.92% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.35% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.21% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.75% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.73% | 92.62% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.43% | 92.68% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.37% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.72% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.02% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.76% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.68% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.73% | 95.56% |
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 | 162904914 |
| LOTUS | LTS0200845 |
| wikiData | Q105027892 |