4,7-dimethyl-6,7-dihydro-5H-[2]pyrindine
| Internal ID | a1ab5013-b437-4855-83b2-e4cf29932c6d |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Methylpyridines |
| IUPAC Name | 4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine |
| SMILES (Canonical) | CC1CCC2=C1C=NC=C2C |
| SMILES (Isomeric) | CC1CCC2=C1C=NC=C2C |
| InChI | InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3 |
| InChI Key | ZHQQRIUYLMXDPP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C10H13N |
| Molecular Weight | 147.22 g/mol |
| Exact Mass | 147.104799419 g/mol |
| Topological Polar Surface Area (TPSA) | 12.90 Ų |
| XlogP | 2.40 |
| (S)-Actinidine |
| SCHEMBL21803725 |
| 4,7-dimethyl-6,7-dihydro-5H-[2]pyrindine |
| 6,7-Dihydro-4,7-dimethyl-(S)-5H-2-Pyrindine |
![2D Structure of 4,7-dimethyl-6,7-dihydro-5H-[2]pyrindine](https://plantaedb.com/storage/docs/compounds/2023/11/47-dimethyl-67-dihydro-5h-2pyrindine.jpg "2D Structure of 4,7-dimethyl-6,7-dihydro-5H-[2]pyrindine")
| 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 |
|---|---|---|---|---|
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.88% | 86.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 87.56% | 95.70% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.03% | 96.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.71% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.49% | 93.40% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.37% | 80.96% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.29% | 97.53% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.52% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.13% | 94.80% |
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.
| Valeriana officinalis |
| PubChem | 3530562 |
| LOTUS | LTS0118848 |
| wikiData | Q105375954 |