9,19-Cyclolanostan-24-one, 3-(acetyloxy)-, (3beta)-
| Internal ID | ea6199ac-42db-462d-b62b-1c8adf9cd442 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [7,7,12,16-tetramethyl-15-(6-methyl-5-oxoheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | CC(C)C(=O)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C |
| SMILES (Isomeric) | CC(C)C(=O)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C |
| InChI | InChI=1S/C32H52O3/c1-20(2)24(34)10-9-21(3)23-13-15-30(8)26-12-11-25-28(5,6)27(35-22(4)33)14-16-31(25)19-32(26,31)18-17-29(23,30)7/h20-21,23,25-27H,9-19H2,1-8H3 |
| InChI Key | YFDBMIHFHLSZBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.80 g/mol |
| Exact Mass | 484.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 8.90 |
| 9,19-Cyclolanostan-24-one, 3-(acetyloxy)-, (3.beta.)- |
| 1-(1,5-Dimethyl-4-oxohexyl)-3a,6,6,12a-tetramethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-yl acetate # |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.38% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.95% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.45% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.94% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.06% | 91.19% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.53% | 95.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.98% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.57% | 82.69% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.23% | 96.61% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.94% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.33% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.13% | 93.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.54% | 90.24% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.11% | 89.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.01% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.78% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.24% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.32% | 89.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.61% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.49% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.39% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.18% | 96.61% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.01% | 94.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.01% | 99.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.38% | 82.50% |
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.
| Juncus effusus |
| PubChem | 634611 |
| LOTUS | LTS0054991 |
| wikiData | Q105347523 |