Lup-20(29)-ene
| Internal ID | 81e79c18-e2dc-453c-ad5f-bc7fa3e47552 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-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]chrysene |
| SMILES (Canonical) | CC(=C)C1CCC2(C1C3CCC4C5(CCCC(C5CCC4(C3(CC2)C)C)(C)C)C)C |
| SMILES (Isomeric) | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C |
| InChI | InChI=1S/C30H50/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1 |
| InChI Key | CMMUMPUVMQKMLU-VIUFNMEASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H50 |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.391251595 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 11.40 |
| 1721-81-9 |
| (1R,3Ar,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-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]chrysene |
| DTXSID001317351 |
| 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 | 97.81% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.01% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.95% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 94.06% | 97.93% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 91.58% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.51% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.30% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.32% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.01% | 94.75% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.94% | 99.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.95% | 96.09% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.98% | 98.99% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.91% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.34% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.06% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.86% | 98.95% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.21% | 98.10% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.66% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.54% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.44% | 97.50% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.18% | 95.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.15% | 91.11% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.59% | 97.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.59% | 92.97% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.13% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.05% | 95.58% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.98% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.37% | 91.03% |
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.
| Euclea divinorum |
| PubChem | 12305098 |
| LOTUS | LTS0071742 |
| wikiData | Q104964888 |