Dispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl-
| Internal ID | adce348b-e43b-41e7-a56e-720351890c4c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | |
| SMILES (Canonical) | CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C |
| SMILES (Isomeric) | CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C |
| InChI | InChI=1S/C20H30O3/c1-14-15(21)12-16-17(2,3)6-5-7-18(16,4)20(14)9-8-19(23-20)10-11-22-13-19/h10-11,14,16H,5-9,12-13H2,1-4H3 |
| InChI Key | MFAYXOLUJJXHCN-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 3.80 |
| Dispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl- |
| NSC645754 |
| tetramethyldispiro[[?]]one |
![2D Structure of Dispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl-](https://plantaedb.com/storage/docs/compounds/2023/11/b58026d0-848c-11ee-b99e-adf2906a03d7.jpg "2D Structure of Dispiro[furan-3(2H),2'(5'H)-furan-5',1''(2''H)-naphthalen]-3''(4''H)-one, 3',4',4''a,5'',6'',7'',8'',8''a-octahydro-2'',5'',5'',8''a-tetramethyl-")
| 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 | 97.46% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.90% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.62% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.85% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.46% | 86.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.71% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.17% | 96.77% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.12% | 95.92% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.91% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.43% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.92% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.55% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.64% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.56% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.39% | 95.89% |
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.
| Leonurus japonicus |
| PubChem | 495202 |
| LOTUS | LTS0113369 |
| wikiData | Q105162535 |