5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol
| Internal ID | b1fa298a-5208-41e9-8cb2-fa0348ae0efc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)O)C)OC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)O)C)OC1 |
| InChI | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3 |
| InChI Key | COVOPPXLDJVUSC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H44O5 |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol](https://plantaedb.com/storage/docs/compounds/2023/11/57913-tetramethylspiro5-oxapentacyclo108002904801318icosane-62-oxane-31516-triol.jpg "2D Structure of 5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3,15,16-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 95.51% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.56% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.41% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.38% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.97% | 97.25% |
| CHEMBL204 | P00734 | Thrombin | 90.77% | 96.01% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.59% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.25% | 98.10% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.21% | 82.69% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.78% | 97.31% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 87.18% | 88.81% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.77% | 96.77% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.67% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.48% | 90.17% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.34% | 95.38% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.32% | 95.58% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.93% | 95.89% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 83.24% | 91.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.39% | 93.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.97% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.89% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.75% | 89.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.78% | 97.28% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.68% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.64% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.56% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.27% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.14% | 91.19% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 80.06% | 98.33% |
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.
| Cestrum parqui |
| Digitalis lanata |
| PubChem | 4483041 |
| LOTUS | LTS0263464 |
| wikiData | Q104967325 |