1-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one
| Internal ID | 2ac73d60-7ecc-41cd-ac41-5fe08d597984 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | 1-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C3=C2OC(C(C3)CC=CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C3=C2O[C@H]([C@H](C3)C/C=C/C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)O)O |
| InChI | InChI=1S/C34H32O7/c1-40-27-16-7-22(8-17-27)9-18-29(37)32-31(39)20-30(38)28-19-24(4-2-3-21-5-12-25(35)13-6-21)33(41-34(28)32)23-10-14-26(36)15-11-23/h2-3,5-8,10-17,20,24,33,35-36,38-39H,4,9,18-19H2,1H3/b3-2+/t24-,33-/m0/s1 |
| InChI Key | MVIWTYPPWJVLDO-MVPBQRJLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H32O7 |
| Molecular Weight | 552.60 g/mol |
| Exact Mass | 552.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 1-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/69742950-860d-11ee-bec0-e1fa225b3b61.jpg "2D Structure of 1-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one")
| 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 | 99.46% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.58% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 98.13% | 97.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.81% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.66% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.00% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.20% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.53% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.06% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.87% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.50% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.14% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.55% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.89% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.82% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.39% | 91.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.80% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.49% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.49% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.66% | 89.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.28% | 97.53% |
| CHEMBL3194 | P02766 | Transthyretin | 81.63% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.19% | 95.89% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.19% | 91.96% |
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.
| Iryanthera laevis |
| PubChem | 163185618 |
| LOTUS | LTS0070555 |
| wikiData | Q105173060 |