22-Hydroxy-3',4,6,12,17,17-hexamethylspiro[9,18,24-trioxahexacyclo[19.2.1.01,13.04,12.05,10.016,22]tetracosane-8,5'-oxolane]-2',19-dione
| Internal ID | 7ded0f53-0917-407d-8bc4-14d6b7a4dfe5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 22-hydroxy-3',4,6,12,17,17-hexamethylspiro[9,18,24-trioxahexacyclo[19.2.1.01,13.04,12.05,10.016,22]tetracosane-8,5'-oxolane]-2',19-dione |
| SMILES (Canonical) | CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC7(C(CCC5C4(C3)C)C(OC(=O)CC7O6)(C)C)O)C |
| SMILES (Isomeric) | CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC7(C(CCC5C4(C3)C)C(OC(=O)CC7O6)(C)C)O)C |
| InChI | InChI=1S/C30H44O7/c1-16-12-29(13-17(2)24(32)37-29)34-18-14-27(6)20-8-7-19-25(3,4)36-22(31)11-21-30(19,33)15-28(20,35-21)10-9-26(27,5)23(16)18/h16-21,23,33H,7-15H2,1-6H3 |
| InChI Key | OZKGSSQUPKNYSU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O7 |
| Molecular Weight | 516.70 g/mol |
| Exact Mass | 516.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 22-Hydroxy-3',4,6,12,17,17-hexamethylspiro[9,18,24-trioxahexacyclo[19.2.1.01,13.04,12.05,10.016,22]tetracosane-8,5'-oxolane]-2',19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/88790750-85eb-11ee-9075-159461669c6e.jpg "2D Structure of 22-Hydroxy-3',4,6,12,17,17-hexamethylspiro[9,18,24-trioxahexacyclo[19.2.1.01,13.04,12.05,10.016,22]tetracosane-8,5'-oxolane]-2',19-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.88% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.81% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.37% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.88% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.13% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.79% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.54% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.28% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.04% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.45% | 95.89% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.11% | 92.88% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.50% | 95.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.78% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.53% | 96.61% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.67% | 91.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.62% | 91.19% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.65% | 95.38% |
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.
| Pseudolarix amabilis |
| PubChem | 163192823 |
| LOTUS | LTS0076903 |
| wikiData | Q105203881 |