Cycloartane-3,24,25-triol
| Internal ID | 0d236759-19f3-4639-ae83-26d02ab67e78 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 6-(6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl)-2-methylheptane-2,3-diol |
| SMILES (Canonical) | CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| SMILES (Isomeric) | CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C |
| InChI | InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3 |
| InChI Key | BKRIPHYESIGPJC-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C30H52O3 |
| Molecular Weight | 460.70 g/mol |
| Exact Mass | 460.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 7.30 |
| (24R)-Cycloartane-3beta,24,25-triol |
| 57576-29-1 |
| 57586-98-8 |
| (3beta,24xi)-Cycloartane-3,24,25-triol |
| (3S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.0^{1,3.0^{3,8.0^{12,16]octadecanyl]-2-methylheptane-2,3-diol |
| (3S,6R)-6-[(1S,3R,6S,8R,11S,12S,15R,16R)-6-hydroxy-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptane-2,3-diol |
| 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 | 99.43% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.76% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.07% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.17% | 97.93% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.73% | 97.79% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.25% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.39% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.82% | 99.43% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.47% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 85.43% | 97.64% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.34% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.49% | 98.05% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 84.48% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.92% | 92.86% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 83.71% | 95.42% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.10% | 92.88% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.94% | 89.34% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.92% | 85.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.73% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.50% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.48% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.47% | 94.45% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.28% | 97.29% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.05% | 91.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.73% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.69% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.61% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.04% | 99.17% |
| CHEMBL1741186 | P51449 | Nuclear receptor ROR-gamma | 80.79% | 99.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.07% | 90.24% |
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.
| Abies forrestii var. georgei |
| Aglaia elliptica |
| Dysoxylum malabaricum |
| Euphorbia petiolata |
| Euphorbia sessiliflora |
| Mangifera indica |
| Trivalvaria costata |
| PubChem | 14314548 |
| LOTUS | LTS0139499 |
| wikiData | Q104937744 |