15-[4-(3,3-Dimethyloxiran-2-yl)-4-oxobutan-2-yl]-6,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
| Internal ID | 296472d9-3184-4a66-ae9f-539464c126de |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-6,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one |
| SMILES (Canonical) | CC(CC(=O)C1C(O1)(C)C)C2C(=O)CC3(C2(CC(C45C3=CCC6C4(C5)CCC(C6(C)C)O)O)C)C |
| SMILES (Isomeric) | CC(CC(=O)C1C(O1)(C)C)C2C(=O)CC3(C2(CC(C45C3=CCC6C4(C5)CCC(C6(C)C)O)O)C)C |
| InChI | InChI=1S/C30H44O5/c1-16(12-17(31)24-26(4,5)35-24)23-18(32)13-27(6)20-9-8-19-25(2,3)21(33)10-11-29(19)15-30(20,29)22(34)14-28(23,27)7/h9,16,19,21-24,33-34H,8,10-15H2,1-7H3 |
| InChI Key | IGPRVRMPUFGMJK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O5 |
| Molecular Weight | 484.70 g/mol |
| Exact Mass | 484.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 87.10 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 15-[4-(3,3-Dimethyloxiran-2-yl)-4-oxobutan-2-yl]-6,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/0d774930-864f-11ee-8710-972e06e0e38f.jpg "2D Structure of 15-[4-(3,3-Dimethyloxiran-2-yl)-4-oxobutan-2-yl]-6,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one")
| 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 | 98.58% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.56% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.65% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.76% | 96.61% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.63% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.61% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.22% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.71% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.31% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.23% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.21% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.43% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.79% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.01% | 100.00% |
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.
| Actaea cimicifuga |
| PubChem | 85136004 |
| LOTUS | LTS0059534 |
| wikiData | Q105112761 |