(5S,7S)-5-[(S)-hydroxy-[(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]methyl]-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde
| Internal ID | b37b7049-a6f4-491c-bbfa-5656296411a5 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridine carboxaldehydes |
| IUPAC Name | (5S,7S)-5-[(S)-hydroxy-[(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]methyl]-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde |
| SMILES (Canonical) | CC1CCC2=C(C=NC=C12)C(C3CC(C4=C3C(=CN=C4)C=O)C)O |
| SMILES (Isomeric) | C[C@H]1CCC2=C(C=NC=C12)[C@H]([C@H]3C[C@@H](C4=C3C(=CN=C4)C=O)C)O |
| InChI | InChI=1S/C20H22N2O2/c1-11-3-4-14-16(11)7-22-9-18(14)20(24)15-5-12(2)17-8-21-6-13(10-23)19(15)17/h6-12,15,20,24H,3-5H2,1-2H3/t11-,12-,15-,20-/m0/s1 |
| InChI Key | KNMAEYCFFQTEKI-CFOBNSSQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.168127949 g/mol |
| Topological Polar Surface Area (TPSA) | 63.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (5S,7S)-5-[(S)-hydroxy-[(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]methyl]-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/0e3f0af0-85f8-11ee-8979-3f2015465065.jpg "2D Structure of (5S,7S)-5-[(S)-hydroxy-[(7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]methyl]-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.02% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.37% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.72% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.49% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.13% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.92% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.88% | 97.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.49% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.77% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.38% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.34% | 95.89% |
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.
| Incarvillea diffusa |
| PubChem | 162870489 |
| LOTUS | LTS0219429 |
| wikiData | Q105143465 |