5',7,8,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-9,18-diene-6,2'-piperidine]-16-ol
| Internal ID | c618255a-84d6-4fa3-8aa9-d3bf9a02f2cd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 3-hydroxysteroids > 3-hydroxy delta-5-steroids |
| IUPAC Name | 5',7,8,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-9,18-diene-6,2'-piperidine]-16-ol |
| SMILES (Canonical) | CC1CCC2(C(C3(C(O2)CC4C3=CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1 |
| SMILES (Isomeric) | CC1CCC2(C(C3(C(O2)CC4C3=CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1 |
| InChI | InChI=1S/C27H41NO2/c1-16-9-12-27(28-15-16)17(2)26(4)23-8-7-22-20(21(23)14-24(26)30-27)6-5-18-13-19(29)10-11-25(18,22)3/h5,8,16-17,19-22,24,28-29H,6-7,9-15H2,1-4H3 |
| InChI Key | XLQGICHHYYWYIU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H41NO2 |
| Molecular Weight | 411.60 g/mol |
| Exact Mass | 411.313729551 g/mol |
| Topological Polar Surface Area (TPSA) | 41.50 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 5',7,8,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-9,18-diene-6,2'-piperidine]-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/95cd87c0-8239-11ee-9ad3-37301f614783.jpg "2D Structure of 5',7,8,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-9,18-diene-6,2'-piperidine]-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 | 97.98% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.15% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 92.76% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.80% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.28% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.91% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.85% | 96.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.23% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.50% | 95.56% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.05% | 95.88% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.75% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.74% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.90% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.91% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.04% | 85.14% |
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.
| Veratrum album |
| Veratrum dahuricum |
| PubChem | 12444727 |
| LOTUS | LTS0188299 |
| wikiData | Q105330216 |