15-[4-(3,3-Dimethyloxiran-2-yl)butan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 7fc5c5d4-1b7b-4792-b522-ac49c40b7e6a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-[4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC(CCC1C(O1)(C)C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C |
| SMILES (Isomeric) | CC(CCC1C(O1)(C)C)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)O)C)C |
| InChI | InChI=1S/C30H50O2/c1-19(8-11-24-26(4,5)32-24)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/h19-24,31H,8-18H2,1-7H3 |
| InChI Key | AAXMYXKQQLLBQO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O2 |
| Molecular Weight | 442.70 g/mol |
| Exact Mass | 442.381080833 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of 15-[4-(3,3-Dimethyloxiran-2-yl)butan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/e6993dd0-86a3-11ee-b4de-f3230c2e07f9.jpg "2D Structure of 15-[4-(3,3-Dimethyloxiran-2-yl)butan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.86% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.78% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.13% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.83% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.98% | 97.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.65% | 95.58% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.65% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.63% | 97.93% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.41% | 98.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.49% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.47% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.62% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.56% | 95.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.55% | 92.86% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.99% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.81% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.49% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.66% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.52% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.45% | 98.05% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.73% | 97.79% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.51% | 97.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.19% | 96.77% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.14% | 93.00% |
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.
| Aglaia rubiginosa |
| Euphorbia esula |
| Euphorbia oxyphylla |
| PubChem | 73310995 |
| LOTUS | LTS0197110 |
| wikiData | Q104908432 |