5-(4-Amino-5-hydroxy-6-methyloxan-2-yl)-1,6,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione
| Internal ID | 7ddf92a9-9a43-4daa-9a6d-4c00ababa191 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 5-(4-amino-5-hydroxy-6-methyloxan-2-yl)-1,6,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | CC1C(C(CC(O1)C2=C(C3=C(C4=C2C=C(C=C4O)C)C(=O)C5=C(C3=O)C(=CC=C5)O)O)N)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)C2=C(C3=C(C4=C2C=C(C=C4O)C)C(=O)C5=C(C3=O)C(=CC=C5)O)O)N)O |
| InChI | InChI=1S/C25H23NO7/c1-9-6-12-17(15(28)7-9)20-21(24(31)18-11(23(20)30)4-3-5-14(18)27)25(32)19(12)16-8-13(26)22(29)10(2)33-16/h3-7,10,13,16,22,27-29,32H,8,26H2,1-2H3 |
| InChI Key | YNBJLMMIDVNPQX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H23NO7 |
| Molecular Weight | 449.50 g/mol |
| Exact Mass | 449.14745207 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 5-(4-Amino-5-hydroxy-6-methyloxan-2-yl)-1,6,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-4-amino-5-hydroxy-6-methyloxan-2-yl-168-trihydroxy-3-methylbenzoaanthracene-712-dione.jpg "2D Structure of 5-(4-Amino-5-hydroxy-6-methyloxan-2-yl)-1,6,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione")
| 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 | 99.54% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.40% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.48% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.14% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.96% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.63% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.86% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.79% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.28% | 96.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.78% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.12% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.18% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.09% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.06% | 98.75% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.92% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.74% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.23% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.21% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.49% | 93.03% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.71% | 96.21% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.37% | 93.65% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.81% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.01% | 91.19% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.84% | 96.67% |
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.
| There are no matching plants. |
| PubChem | 162954296 |
| LOTUS | LTS0097529 |
| wikiData | Q104201865 |