4',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,1'-cyclohexane]-16-ol
| Internal ID | 9666496d-560d-467b-b40e-fb98ca64a363 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 3-hydroxysteroids > 3-hydroxy delta-5-steroids |
| IUPAC Name | 4',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,1'-cyclohexane]-16-ol |
| SMILES (Canonical) | CC1CCC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C |
| SMILES (Isomeric) | CC1CCC2(CC1)C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C |
| InChI | InChI=1S/C28H44O2/c1-17-7-13-28(14-8-17)18(2)25-24(30-28)16-23-21-6-5-19-15-20(29)9-11-26(19,3)22(21)10-12-27(23,25)4/h5,17-18,20-25,29H,6-16H2,1-4H3 |
| InChI Key | XFPSVMNKBLSWJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H44O2 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.334130642 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of 4',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,1'-cyclohexane]-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/12007fe0-85fe-11ee-bbfb-f1290774796c.jpg "2D Structure of 4',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,1'-cyclohexane]-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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.67% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.74% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.87% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.58% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.91% | 89.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.71% | 89.05% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.59% | 86.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.41% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.81% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.77% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.68% | 95.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 83.94% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.52% | 86.33% |
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.
| Solanum dulcamara |
| PubChem | 162893544 |
| LOTUS | LTS0103973 |
| wikiData | Q105327165 |