4,4,10,13,14-Pentamethyl-17-(6-methylheptan-2-yl)-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
| Internal ID | 17e49097-890f-4c5f-96c3-b06681b27e82 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(C=CC(=O)C4(C)C)C)C)C |
| SMILES (Isomeric) | CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(C=CC(=O)C4(C)C)C)C)C |
| InChI | InChI=1S/C30H48O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,16-17,20-23,25H,9-11,13-15,18-19H2,1-8H3 |
| InChI Key | ZYAWSDGOPQRREN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O |
| Molecular Weight | 424.70 g/mol |
| Exact Mass | 424.370516150 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 9.50 |
| There are no found synonyms. |
![2D Structure of 4,4,10,13,14-Pentamethyl-17-(6-methylheptan-2-yl)-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/4cafece0-8581-11ee-8205-c13c355cb04a.jpg "2D Structure of 4,4,10,13,14-Pentamethyl-17-(6-methylheptan-2-yl)-5,6,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-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 | 96.21% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.52% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.65% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.80% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.39% | 85.31% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.65% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.99% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 89.22% | 93.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.66% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.14% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.89% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.43% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.16% | 93.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.93% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.85% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.95% | 95.89% |
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.
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| PubChem | 75597710 |
| LOTUS | LTS0127987 |
| wikiData | Q104253141 |