3',5',9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
| Internal ID | f5e6dc13-1552-45b6-a8de-e8476ffab8c4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3',5',9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol |
| SMILES (Canonical) | CC1CC(C2(CC3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)OC1)C |
| SMILES (Isomeric) | CC1CC(C2(CC3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)OC1)C |
| InChI | InChI=1S/C27H44O3/c1-16-11-17(2)27(29-15-16)14-23-24(30-27)13-22-20-6-5-18-12-19(28)7-9-25(18,3)21(20)8-10-26(22,23)4/h16-24,28H,5-15H2,1-4H3 |
| InChI Key | REGABMXOVFDEIY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.60 g/mol |
| Exact Mass | 416.32904526 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 3',5',9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/35913-tetramethylspiro5-oxapentacyclo108002904801318icosane-62-oxane-16-ol.jpg "2D Structure of 3',5',9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol")
| 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 | 93.25% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.10% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.84% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 92.41% | 89.05% |
| CHEMBL204 | P00734 | Thrombin | 90.81% | 96.01% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.17% | 96.61% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.88% | 96.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.78% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.62% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.46% | 82.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.26% | 98.10% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.70% | 95.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.24% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.94% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.49% | 96.95% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.78% | 92.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.16% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.00% | 98.99% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.20% | 97.28% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.14% | 92.78% |
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.
| Yucca gloriosa |
| PubChem | 162952525 |
| LOTUS | LTS0190586 |
| wikiData | Q105234852 |