(2R)-1-[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol
| Internal ID | ef719071-6c11-401f-bce1-edb5d44eddd3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans |
| IUPAC Name | (2R)-1-[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O5/c1-20(2,24)18(23)11-15-16(22)9-5-13-6-10-17(25-19(13)15)12-3-7-14(21)8-4-12/h3-5,7-9,17-18,21-24H,6,10-11H2,1-2H3/t17-,18+/m0/s1 |
| InChI Key | VONCSVFGZKPGPL-ZWKOTPCHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-1-2s-7-hydroxy-2-4-hydroxyphenyl-34-dihydro-2h-chromen-8-yl-3-methylbutane-23-diol.jpg "2D Structure of (2R)-1-[(2S)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3-methylbutane-2,3-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 | 97.60% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.08% | 91.79% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.78% | 97.93% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.28% | 97.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.02% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.07% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.45% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.65% | 93.99% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.64% | 90.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.47% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.91% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.38% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.01% | 85.00% |
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.
| Brosimum acutifolium |
| PubChem | 163067805 |
| LOTUS | LTS0085748 |
| wikiData | Q105290285 |