(25r)-5alpha-Spirostane-2alpha,3beta,5alpha-triol
| Internal ID | 95ba587b-1232-4349-9aa8-75c7b8e45c4f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,18-triol |
| SMILES (Canonical) | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6(C5(CC(C(C6)O)O)C)O)C)C)OC1 |
| SMILES (Isomeric) | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@]6([C@@]5(C[C@H]([C@@H](C6)O)O)C)O)C)C)OC1 |
| InChI | InChI=1S/C27H44O5/c1-15-5-10-27(31-14-15)16(2)23-22(32-27)11-19-17-6-9-26(30)13-21(29)20(28)12-25(26,4)18(17)7-8-24(19,23)3/h15-23,28-30H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1 |
| InChI Key | IWRHKMTUIIDCDO-FHSZOFNGSA-N |
| Popularity | 1 reference 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 | 4.10 |
| There are no found synonyms. |
| 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 | 95.93% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.86% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.27% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 94.09% | 89.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.23% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.19% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.15% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.66% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.26% | 95.58% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.26% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.23% | 95.50% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 85.43% | 97.31% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 84.93% | 94.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 84.62% | 97.86% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.49% | 96.38% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.52% | 92.86% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.37% | 95.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.15% | 85.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.06% | 96.43% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.47% | 97.64% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.20% | 94.78% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.19% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.12% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.00% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.29% | 95.89% |
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.
| Agapanthus africanus |
| PubChem | 15558507 |
| LOTUS | LTS0078972 |
| wikiData | Q105121823 |