(4bR,7S,8aR)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,1-b]pyridin-5-one
| Internal ID | 0dce19f3-2b0c-4335-82b5-a250ff1f1aa3 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives |
| IUPAC Name | (4bR,7S,8aR)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,1-b]pyridin-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H21NO2/c1-11-8-12-10-14-13(4-2-6-17-14)16(12,5-3-7-18)15(19)9-11/h2,4,6,11-12,18H,3,5,7-10H2,1H3/t11-,12+,16+/m0/s1 |
| InChI Key | UUWWQFVGOFXKLC-HWWQOWPSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21NO2 |
| Molecular Weight | 259.34 g/mol |
| Exact Mass | 259.157228913 g/mol |
| Topological Polar Surface Area (TPSA) | 50.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (4bR,7S,8aR)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,1-b]pyridin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/4br7s8ar-4b-3-hydroxypropyl-7-methyl-788a9-tetrahydro-6h-indeno21-bpyridin-5-one.jpg "2D Structure of (4bR,7S,8aR)-4b-(3-hydroxypropyl)-7-methyl-7,8,8a,9-tetrahydro-6H-indeno[2,1-b]pyridin-5-one")
| 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 | 98.14% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.07% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.67% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.36% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.74% | 97.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.43% | 93.10% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.36% | 92.97% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.25% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.41% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.28% | 97.25% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.77% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.11% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.70% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.14% | 82.69% |
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 | 101501409 |
| LOTUS | LTS0128564 |
| wikiData | Q104984166 |