2-(2-chloroethyl)-4-hydroxy-3-methyl-4,4a,5,6,8,8a-hexahydro-3aH-pyrrolo[1,2-a]indole-1,7-dione
| Internal ID | 9703986a-1f65-4ad6-9746-8ad26bdf20bd |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 2-(2-chloroethyl)-4-hydroxy-3-methyl-4,4a,5,6,8,8a-hexahydro-3aH-pyrrolo[1,2-a]indole-1,7-dione |
| SMILES (Canonical) | CC1=C(C(=O)N2C1C(C3C2CC(=O)CC3)O)CCCl |
| SMILES (Isomeric) | CC1=C(C(=O)N2C1C(C3C2CC(=O)CC3)O)CCCl |
| InChI | InChI=1S/C14H18ClNO3/c1-7-9(4-5-15)14(19)16-11-6-8(17)2-3-10(11)13(18)12(7)16/h10-13,18H,2-6H2,1H3 |
| InChI Key | LSKWKCUUZBBJFE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18ClNO3 |
| Molecular Weight | 283.75 g/mol |
| Exact Mass | 283.0975211 g/mol |
| Topological Polar Surface Area (TPSA) | 57.60 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 2-(2-chloroethyl)-4-hydroxy-3-methyl-4,4a,5,6,8,8a-hexahydro-3aH-pyrrolo[1,2-a]indole-1,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-chloroethyl-4-hydroxy-3-methyl-44a5688a-hexahydro-3ah-pyrrolo12-aindole-17-dione.jpg "2D Structure of 2-(2-chloroethyl)-4-hydroxy-3-methyl-4,4a,5,6,8,8a-hexahydro-3aH-pyrrolo[1,2-a]indole-1,7-dione")
| 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 | 96.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.69% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.26% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.98% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.14% | 97.09% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 83.89% | 96.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.30% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.19% | 95.89% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.76% | 94.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.64% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.35% | 90.71% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.28% | 86.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.16% | 89.05% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.21% | 95.34% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 72810763 |
| LOTUS | LTS0219092 |
| wikiData | Q105156595 |