5,7-Dimethoxy-8-prenylflavan
| Internal ID | 470b973f-bf02-46e1-93b9-4c8b19bb0b63 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans |
| IUPAC Name | (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C2=C1OC(CC2)C3=CC=CC=C3)OC)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2)C3=CC=CC=C3)OC)OC)C |
| InChI | InChI=1S/C22H26O3/c1-15(2)10-11-17-20(23-3)14-21(24-4)18-12-13-19(25-22(17)18)16-8-6-5-7-9-16/h5-10,14,19H,11-13H2,1-4H3/t19-/m0/s1 |
| InChI Key | RPTCPOYESVSHEY-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O3 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 5.70 |
| CHEBI:186123 |
| LMPK12020255 |
| (2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene |
| 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 | 97.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.98% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.95% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.58% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.55% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.05% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.92% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.25% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.43% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.76% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.05% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.41% | 93.99% |
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.
| Tephrosia madrensis |
| Tephrosia watsoniana |
| PubChem | 44257186 |
| LOTUS | LTS0200431 |
| wikiData | Q105243010 |