(10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
| Internal ID | 54e28a38-6a01-4733-8b6c-6af87fe15fef |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one |
| SMILES (Canonical) | C1CC(=O)N2C1C3=CC(=C(C=C3CC2)O)O |
| SMILES (Isomeric) | C1CC(=O)N2[C@@H]1C3=CC(=C(C=C3CC2)O)O |
| InChI | InChI=1S/C12H13NO3/c14-10-5-7-3-4-13-9(1-2-12(13)16)8(7)6-11(10)15/h5-6,9,14-15H,1-4H2/t9-/m0/s1 |
| InChI Key | LJIDRFNRDLYHNC-VIFPVBQESA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.24 g/mol |
| Exact Mass | 219.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 60.80 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/10bs-89-dihydroxy-25610b-tetrahydro-1h-pyrrolo21-aisoquinolin-3-one.jpg "2D Structure of (10bS)-8,9-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.44% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.86% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.14% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.05% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.93% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.09% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.89% | 90.24% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.13% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.95% | 95.89% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.41% | 97.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.09% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.68% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.70% | 91.00% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 81.77% | 91.76% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.48% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.38% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.39% | 100.00% |
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.
| Portulaca oleracea |
| Salsola collina |
| Trollius chinensis |
| PubChem | 11160309 |
| LOTUS | LTS0191659 |
| wikiData | Q105152597 |