Anhydropseudophlegmacin-9,10-quinone-3'-amino-8'-O-methyl ether
| Internal ID | 9c22f48d-30a9-43a7-9ab2-34d8d12fcfa5 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 1-(2-amino-10-hydroxy-5-methoxy-4-oxo-3H-anthracen-9-yl)-2,4,5-trihydroxy-7-methylanthracene-9,10-dione |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C=C(CC(=O)C5=C(C6=C4C=CC=C6OC)O)N)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C=C(CC(=O)C5=C(C6=C4C=CC=C6OC)O)N)O)O |
| InChI | InChI=1S/C30H21NO8/c1-11-6-15-23(16(32)7-11)30(38)26-19(35)10-18(34)25(27(26)28(15)36)21-13-4-3-5-20(39-2)24(13)29(37)22-14(21)8-12(31)9-17(22)33/h3-8,10,32,34-35,37H,9,31H2,1-2H3 |
| InChI Key | CWCOWNCCNNIIBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H21NO8 |
| Molecular Weight | 523.50 g/mol |
| Exact Mass | 523.12671663 g/mol |
| Topological Polar Surface Area (TPSA) | 167.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
| 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 | 99.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.94% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.36% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.25% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.78% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.65% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.63% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.49% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.21% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.00% | 86.33% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.64% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.36% | 91.19% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.64% | 91.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.05% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.67% | 85.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.97% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.93% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.02% | 91.49% |
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.
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| There are no matching plants. |
| PubChem | 54752970 |
| LOTUS | LTS0079127 |
| wikiData | Q75065337 |