4-hydroxy-6-[2-(2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl)ethyl]oxan-2-one
| Internal ID | abce5eae-a5de-4d3d-a88c-2d9597dfe49e |
| Taxonomy | Organoheterocyclic compounds > Lactones > Delta valerolactones |
| IUPAC Name | 4-hydroxy-6-[2-(2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl)ethyl]oxan-2-one |
| SMILES (Canonical) | CC1C(C2CCCCC2=CC1=O)CCC3CC(CC(=O)O3)O |
| SMILES (Isomeric) | CC1C(C2CCCCC2=CC1=O)CCC3CC(CC(=O)O3)O |
| InChI | InChI=1S/C18H26O4/c1-11-15(7-6-14-9-13(19)10-18(21)22-14)16-5-3-2-4-12(16)8-17(11)20/h8,11,13-16,19H,2-7,9-10H2,1H3 |
| InChI Key | UXKPJFAFIVQXBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O4 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 4-hydroxy-6-[2-(2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl)ethyl]oxan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-6-2-2-methyl-3-oxo-256788a-hexahydro-1h-naphthalen-1-ylethyloxan-2-one.jpg "2D Structure of 4-hydroxy-6-[2-(2-methyl-3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl)ethyl]oxan-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.85% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.82% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.74% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.94% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.86% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.48% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.67% | 86.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.84% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.67% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.94% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.89% | 97.79% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.24% | 90.93% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85424513 |
| LOTUS | LTS0121486 |
| wikiData | Q104199036 |