2'-Hydroxy-2,2,5',5',9'-pentamethylspiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-3'-one
| Internal ID | aee67c44-1d7b-49bc-930f-4653debced34 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | 2'-hydroxy-2,2,5',5',9'-pentamethylspiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-3'-one |
| SMILES (Canonical) | CC1(CCCC2(C1C(=O)C(C34C2CCC(C3)C5(C4)COC(O5)(C)C)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1C(=O)C(C34C2CCC(C3)C5(C4)COC(O5)(C)C)O)C)C |
| InChI | InChI=1S/C23H36O4/c1-19(2)9-6-10-21(5)15-8-7-14-11-22(15,18(25)16(24)17(19)21)12-23(14)13-26-20(3,4)27-23/h14-15,17-18,25H,6-13H2,1-5H3 |
| InChI Key | GPDYNSLXYAITQJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O4 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 2'-Hydroxy-2,2,5',5',9'-pentamethylspiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-3'-one](https://plantaedb.com/storage/docs/compounds/2023/11/67be4a70-85df-11ee-b7b5-5b9d22302094.jpg "2D Structure of 2'-Hydroxy-2,2,5',5',9'-pentamethylspiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.66% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.36% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.18% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.74% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.35% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.88% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.98% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.62% | 95.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.07% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.73% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.49% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.38% | 93.04% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 81.32% | 99.29% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.26% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.98% | 97.28% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.46% | 94.75% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.26% | 98.46% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.02% | 95.50% |
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.
| Broussonetia papyrifera |
| PubChem | 163027780 |
| LOTUS | LTS0198600 |
| wikiData | Q105014786 |