Spirost-5-en-1,3-diol
| Internal ID | e2c4323e-9feb-412a-b6fc-e96d5fe28e47 |
| 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]icos-18-ene-6,2'-oxane]-14,16-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3 |
| InChI Key | QMQIQBOGXYYATH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H42O4 |
| Molecular Weight | 430.60 g/mol |
| Exact Mass | 430.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.70 |
| HMS5086J17 |
| ZJB48532 |
| 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 | 98.02% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 94.14% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.99% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.76% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.10% | 91.11% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.59% | 86.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.20% | 95.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.95% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.22% | 95.89% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 86.16% | 87.16% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.55% | 89.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.84% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.34% | 86.33% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.34% | 96.43% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.45% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.20% | 94.45% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 81.17% | 94.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.91% | 97.25% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.00% | 97.28% |
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.
| Bryobium hyacinthoides |
| Nolina microcarpa |
| Ophiopogon japonicus |
| PubChem | 3842686 |
| LOTUS | LTS0227795 |
| wikiData | Q105224121 |