[3,5-dihydroxy-2-(hydroxymethyl)-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-4-yl] acetate
| Internal ID | 815e2c24-2c1d-4776-b66a-790d141ab0b0 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | [3,5-dihydroxy-2-(hydroxymethyl)-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-4-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(C(OC(C1O)C2C3=C(C(=CC(=C3)CO)O)C(=O)C4=C(C=CC(=C24)O)O)CO)O |
| SMILES (Isomeric) | CC(=O)OC1C(C(OC(C1O)C2C3=C(C(=CC(=C3)CO)O)C(=O)C4=C(C=CC(=C24)O)O)CO)O |
| InChI | InChI=1S/C23H24O11/c1-8(26)33-23-19(30)14(7-25)34-22(21(23)32)16-10-4-9(6-24)5-13(29)15(10)20(31)18-12(28)3-2-11(27)17(16)18/h2-5,14,16,19,21-25,27-30,32H,6-7H2,1H3 |
| InChI Key | SRSNLWMQEMPKED-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H24O11 |
| Molecular Weight | 476.40 g/mol |
| Exact Mass | 476.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of [3,5-dihydroxy-2-(hydroxymethyl)-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6f98e460-85f8-11ee-b90b-81d1ba67b201.jpg "2D Structure of [3,5-dihydroxy-2-(hydroxymethyl)-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-4-yl] acetate")
| 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 | 98.98% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.08% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.87% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.50% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 85.47% | 89.67% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.21% | 86.92% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.13% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.14% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.80% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.55% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.30% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.93% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.91% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.82% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.33% | 91.19% |
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.
| Aloe perfoliata |
| PubChem | 75219050 |
| LOTUS | LTS0150229 |
| wikiData | Q105259381 |