17-(6-Hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Internal ID | cc38f2f0-be5f-4a69-ad34-7ec41169ad88 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-(6-hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,21-24,32H,1,10-15,17-19H2,2-8H3 |
| InChI Key | UEMOSIMEJKJGBC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of 17-(6-Hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/45c95da0-85b2-11ee-9199-d508e9e1a4ae.jpg "2D Structure of 17-(6-Hydroxy-6-methylhepta-1,4-dien-2-yl)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.25% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.81% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.60% | 92.98% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.68% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.56% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.02% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.92% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 84.75% | 89.76% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.40% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.06% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.72% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.12% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.90% | 89.34% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.81% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.72% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.68% | 90.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.65% | 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 elaeagnoidea |
| PubChem | 75579498 |
| LOTUS | LTS0070366 |
| wikiData | Q105271014 |