8-Hydroxy-3-methylspiro[3,3a,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-4,5'-oxane]-2,2'-dione
| Internal ID | 7161f5f5-a12f-47b3-a277-5dbe113f5a47 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 8-hydroxy-3-methylspiro[3,3a,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-4,5'-oxane]-2,2'-dione |
| SMILES (Canonical) | CC1C2C(CC3C(C24CCC(=O)OC4)CCCC3O)OC1=O |
| SMILES (Isomeric) | CC1C2C(CC3C(C24CCC(=O)OC4)CCCC3O)OC1=O |
| InChI | InChI=1S/C17H24O5/c1-9-15-13(22-16(9)20)7-10-11(3-2-4-12(10)18)17(15)6-5-14(19)21-8-17/h9-13,15,18H,2-8H2,1H3 |
| InChI Key | FQIJIXDHDJNSIE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O5 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 8-Hydroxy-3-methylspiro[3,3a,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-4,5'-oxane]-2,2'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/813c9ab0-857a-11ee-be09-312e752381d4.jpg "2D Structure of 8-Hydroxy-3-methylspiro[3,3a,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-4,5'-oxane]-2,2'-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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 96.05% | 96.01% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.20% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.87% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.45% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.10% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.64% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.67% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.42% | 92.94% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.12% | 86.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.20% | 95.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.60% | 96.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.54% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.45% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.09% | 99.23% |
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.
| Casimirella rupestris |
| PubChem | 162841803 |
| LOTUS | LTS0128864 |
| wikiData | Q104166680 |