[2,4-Dihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-(4-hydroxyphenyl)methanone
| Internal ID | 4d3b3c44-08b5-45b5-aeba-87f8cf303307 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [2,4-dihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-(4-hydroxyphenyl)methanone |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=CC(=C2C(=O)C3=CC=C(C=C3)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=CC(=C2C(=O)C3=CC=C(C=C3)O)O)O)O)O)O |
| InChI | InChI=1S/C19H20O9/c1-8-15(23)17(25)18(26)19(27-8)28-13-7-11(21)6-12(22)14(13)16(24)9-2-4-10(20)5-3-9/h2-8,15,17-23,25-26H,1H3 |
| InChI Key | BDUFDLBIUJUAJE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H20O9 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 1.10 |
| 943989-68-2 |
| A859441 |
| B0005-157103 |
![2D Structure of [2,4-Dihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-(4-hydroxyphenyl)methanone](https://plantaedb.com/storage/docs/compounds/2023/11/24-dihydroxy-6-345-trihydroxy-6-methyloxan-2-yloxyphenyl-4-hydroxyphenylmethanone.jpg "2D Structure of [2,4-Dihydroxy-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-(4-hydroxyphenyl)methanone")
| 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 | 94.98% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.80% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.28% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.91% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.69% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.06% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.70% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.59% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.15% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.13% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.82% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.84% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.89% | 95.89% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.14% | 85.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.47% | 98.75% |
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.
| Aquilaria sinensis |
| PubChem | 74326453 |
| LOTUS | LTS0155633 |
| wikiData | Q104924721 |