5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3S)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol
| Internal ID | 4acdfdfd-671a-474d-9228-36f2ec428fa3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Hydroxyquinolines |
| IUPAC Name | 5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3S)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol |
| SMILES (Canonical) | CC1CCCCCCCN(C1)CCCN2C=C(C(=C2)C3=CC(=C(C4=C3C=CC=N4)O)O)C5=CC(=C(C6=C5C=CC=N6)O)O |
| SMILES (Isomeric) | C[C@H]1CCCCCCCN(C1)CCCN2C=C(C(=C2)C3=CC(=C(C4=C3C=CC=N4)O)O)C5=CC(=C(C6=C5C=CC=N6)O)O |
| InChI | InChI=1S/C35H40N4O4/c1-23-10-5-3-2-4-6-15-38(20-23)16-9-17-39-21-28(26-18-30(40)34(42)32-24(26)11-7-13-36-32)29(22-39)27-19-31(41)35(43)33-25(27)12-8-14-37-33/h7-8,11-14,18-19,21-23,40-43H,2-6,9-10,15-17,20H2,1H3/t23-/m0/s1 |
| InChI Key | LXQYEHATTLKGJN-QHCPKHFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H40N4O4 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.30495577 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3S)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol](https://plantaedb.com/storage/docs/compounds/2023/11/f0462eb0-8532-11ee-bd4b-9df38728182c.jpg "2D Structure of 5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3S)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol")
| 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 | 98.34% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.45% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.80% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.76% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.21% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 92.84% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.08% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.86% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.00% | 95.89% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 89.37% | 96.25% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.16% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.11% | 95.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 87.63% | 95.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.51% | 99.15% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.32% | 91.81% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.83% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.56% | 97.25% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 85.15% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.05% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.87% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.61% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.07% | 99.23% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 83.03% | 93.90% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.79% | 82.69% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.63% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.15% | 89.62% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.94% | 92.97% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.63% | 99.18% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 81.57% | 98.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.23% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 135502559 |
| LOTUS | LTS0199394 |
| wikiData | Q105159033 |