Lup-20(29)-en-3-ol, (3beta)-
| Internal ID | b110cf14-4d85-4e05-bba1-911eb792c1e5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol |
| SMILES (Canonical) | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3 |
| InChI Key | MQYXUWHLBZFQQO-UHFFFAOYSA-N |
| Popularity | 252 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.90 |
| Lup-20(29)-en-3-ol # |
| 3.beta.-Lup-20(29)-en-3-ol |
| Lup-20(29)-en-3-ol, (3.beta.)- |
| Lupeol_76.1% |
| 1H-Cyclopenta[a]chrysene, lup-20(29)-en-3-ol deriv. |
| DTXSID60871753 |
| MQYXUWHLBZFQQO-UHFFFAOYSA-N |
| LS-15299 |
| 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 |
|---|---|---|---|---|
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.28% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.47% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.67% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.64% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.23% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.89% | 97.25% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 88.79% | 95.42% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.06% | 97.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.83% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.00% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.99% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.78% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.41% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.22% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.10% | 95.58% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 83.50% | 98.99% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.40% | 98.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.77% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.53% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.94% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.38% | 92.86% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.54% | 95.38% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.44% | 97.50% |
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.
| PubChem | 521518 |
| LOTUS | LTS0088634 |
| wikiData | Q104171986 |