4-[[8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methyl-5,7,12-trioxobenzo[b]phenanthridin-6-yl]methyl]benzoic acid
| Internal ID | 6aa60e24-eeaa-4909-a4e7-7e5d362e3740 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | 4-[[8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methyl-5,7,12-trioxobenzo[b]phenanthridin-6-yl]methyl]benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H27NO10/c1-14-10-19-24(20(34)11-14)26-27(33(31(19)39)13-16-6-8-17(9-7-16)32(40)41)30(38)25-18(29(26)37)4-3-5-22(25)43-23-12-21(35)28(36)15(2)42-23/h3-11,15,21,23,28,34-36H,12-13H2,1-2H3,(H,40,41)/t15-,21+,23-,28-/m0/s1 |
| InChI Key | KAAGCPWSCIQERK-LOWWVXJSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H27NO10 |
| Molecular Weight | 585.60 g/mol |
| Exact Mass | 585.16349606 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 4-[[8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methyl-5,7,12-trioxobenzo[b]phenanthridin-6-yl]methyl]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3a906ac0-8631-11ee-bd7e-959e99b955f7.jpg "2D Structure of 4-[[8-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-3-methyl-5,7,12-trioxobenzo[b]phenanthridin-6-yl]methyl]benzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.78% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.68% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.63% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.65% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.29% | 96.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 93.75% | 97.31% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.65% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.16% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.20% | 95.89% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 91.13% | 80.78% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.26% | 96.38% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.52% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.59% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.23% | 95.93% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.45% | 94.42% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.34% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.62% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.58% | 99.23% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.41% | 96.21% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.01% | 96.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.48% | 95.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.32% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.95% | 98.75% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 84.16% | 96.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.08% | 96.77% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.60% | 95.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.50% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.97% | 99.17% |
| CHEMBL2047 | Q96RI1 | Bile acid receptor FXR | 81.81% | 96.10% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.03% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 80.92% | 97.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.24% | 96.90% |
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 | 163141703 |
| LOTUS | LTS0109189 |
| wikiData | Q105137754 |