4-allyl-2-[5-[(2R,3R,5R,6R)-6-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]-3,5-dimethyl-1,4-dioxan-2-yl]-2-hydroxy-phenyl]phenol
| Internal ID | 4cb2cc0d-0705-4ea3-b21b-e3d3be3af228 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Biphenyls and derivatives |
| IUPAC Name | 2-[2-hydroxy-5-[(2R,3R,5R,6R)-6-[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]-3,5-dimethyl-1,4-dioxan-2-yl]phenyl]-4-prop-2-enylphenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H36O6/c1-5-7-23-9-13-31(37)27(17-23)29-19-25(11-15-33(29)39)35-21(3)41-22(4)36(42-35)26-12-16-34(40)30(20-26)28-18-24(8-6-2)10-14-32(28)38/h5-6,9-22,35-40H,1-2,7-8H2,3-4H3/t21-,22-,35+,36+/m1/s1 |
| InChI Key | GGSCBAFZUOZBIR-XKKCTNAZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H36O6 |
| Molecular Weight | 564.70 g/mol |
| Exact Mass | 564.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 7.60 |
| CHEMBL2346743 |
| 4-allyl-2-[5-[(2R,3R,5R,6R)-6-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]-3,5-dimethyl-1,4-dioxan-2-yl]-2-hydroxy-phenyl]phenol |
![2D Structure of 4-allyl-2-[5-[(2R,3R,5R,6R)-6-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]-3,5-dimethyl-1,4-dioxan-2-yl]-2-hydroxy-phenyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/07/5679d500-254c-11ee-9f2d-b7723fdc4cdc.jpg "2D Structure of 4-allyl-2-[5-[(2R,3R,5R,6R)-6-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]-3,5-dimethyl-1,4-dioxan-2-yl]-2-hydroxy-phenyl]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.77% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.41% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.14% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.99% | 94.73% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.90% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.46% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.35% | 96.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.08% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.83% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.65% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.62% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.21% | 95.89% |
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.
| Streblus asper |
| PubChem | 71580863 |
| NPASS | NPC471064 |
| ChEMBL | CHEMBL2346743 |
| LOTUS | LTS0005910 |
| wikiData | Q105008304 |