[3-Acetyloxy-2-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-5-hydroxy-6-methyloxan-4-yl] acetate
| Internal ID | fe60999c-b00a-4edd-901f-48702cf5afdb |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | [3-acetyloxy-2-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-5-hydroxy-6-methyloxan-4-yl] acetate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)OC(=O)C)OC(=O)C)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)O)C(=O)C4=C(C3=O)C=C(C=C4O)C)OC(=O)C)OC(=O)C)O |
| InChI | InChI=1S/C25H24O11/c1-9-5-14-18(16(28)6-9)22(32)19-15(21(14)31)7-13(8-17(19)29)36-25-24(35-12(4)27)23(34-11(3)26)20(30)10(2)33-25/h5-8,10,20,23-25,28-30H,1-4H3 |
| InChI Key | KCNQHDPLSQKCFV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O11 |
| Molecular Weight | 500.40 g/mol |
| Exact Mass | 500.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [3-Acetyloxy-2-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-5-hydroxy-6-methyloxan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/0eda6170-856b-11ee-b1de-4560d73d9874.jpg "2D Structure of [3-Acetyloxy-2-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-5-hydroxy-6-methyloxan-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.61% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.70% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.31% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.94% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.33% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.16% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.90% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.20% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.57% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.35% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.51% | 94.80% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.89% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.92% | 95.89% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.39% | 81.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.79% | 91.07% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.86% | 96.21% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.43% | 85.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.38% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.32% | 99.17% |
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.
| Rhamnus prinoides |
| PubChem | 163036775 |
| LOTUS | LTS0136078 |
| wikiData | Q105138854 |