3beta-3-Lupanol
| Internal ID | 4bd657b0-bfe0-482d-b008-2f474087bfd4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3a,5a,5b,8,8,11a-hexamethyl-1-propan-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) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H52O/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/h19-25,31H,9-18H2,1-8H3 |
| InChI Key | UBLNLUPLUKPSPP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O |
| Molecular Weight | 428.70 g/mol |
| Exact Mass | 428.401816278 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 9.90 |
| 3beta-3-Lupanol |
| SCHEMBL13384623 |
| UBLNLUPLUKPSPP-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.23% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.36% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.87% | 94.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 91.14% | 95.58% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.57% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.69% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.44% | 90.17% |
| CHEMBL204 | P00734 | Thrombin | 88.83% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.71% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.38% | 91.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.57% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.32% | 96.61% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.29% | 92.98% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.44% | 92.86% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.17% | 100.00% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 85.36% | 99.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.35% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.42% | 97.09% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 83.94% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.37% | 85.31% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.14% | 99.18% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.95% | 92.88% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.28% | 98.99% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.64% | 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.
| Cassia fistula |
| Cichorium intybus |
| Citrus medica |
| Humboldtia laurifolia |
| Wunderlichia mirabilis |
| PubChem | 610269 |
| LOTUS | LTS0190216 |
| wikiData | Q104888676 |