2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one
| Internal ID | ed79cde5-a9b8-45f9-9eea-e7c57e45bfcb |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | 7-hydroxy-8-[(E,1R,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-2-enyl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C2C(=O)CC(OC2=C(C(=C1)O)C(C=CCC(CCC3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| SMILES (Isomeric) | COC1=C2C(=O)CC(OC2=C(C(=C1)O)[C@H](/C=C/C[C@H](CCC3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
| InChI | InChI=1S/C35H34O8/c1-42-32-20-29(40)33(35-34(32)30(41)19-31(43-35)23-10-17-27(39)18-11-23)28(22-8-15-26(38)16-9-22)4-2-3-24(36)12-5-21-6-13-25(37)14-7-21/h2,4,6-11,13-18,20,24,28,31,36-40H,3,5,12,19H2,1H3/b4-2+/t24-,28-,31?/m1/s1 |
| InChI Key | IVPRDSPYDXWXMB-AUEBXSAWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H34O8 |
| Molecular Weight | 582.60 g/mol |
| Exact Mass | 582.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 5.80 |
| 2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one |
| LMPK12140542 |
![2D Structure of 2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/7ba9b8a0-85bc-11ee-a3c3-adcb81483531.jpg "2D Structure of 2,3-Dihydro-7-hydroxy-8-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-heptenyl]-2-(4-hydroxyphenyl)-5-methoxy-4H-1-benzopyran-4-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 | 99.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.48% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.40% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.95% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.54% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.05% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.55% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.67% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.44% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.79% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.78% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.02% | 85.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.85% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.29% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.99% | 89.00% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 86.25% | 100.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.88% | 86.92% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.59% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.89% | 94.73% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.44% | 94.03% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.10% | 85.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.08% | 93.31% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.31% | 94.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.28% | 97.93% |
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.
| Alpinia roxburghii |
| PubChem | 10008443 |
| LOTUS | LTS0256046 |
| wikiData | Q105121208 |