(3,4,5-Trihydroxyoxan-2-yl) 6-hydroxy-6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-4-enoate
| Internal ID | 0866fe6d-ba3a-4450-bb4d-af4581b23509 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3,4,5-trihydroxyoxan-2-yl) 6-hydroxy-6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-4-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H54O8/c1-31(2,41)15-8-9-20(29(40)43-30-28(39)27(38)24(36)19-42-30)21-12-17-35(7)23-10-11-25-32(3,4)26(37)14-16-33(25,5)22(23)13-18-34(21,35)6/h8,15,20-21,24-25,27-28,30,36,38-39,41H,9-14,16-19H2,1-7H3 |
| InChI Key | BGFUPUXPMBXGKR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H54O8 |
| Molecular Weight | 602.80 g/mol |
| Exact Mass | 602.38186868 g/mol |
| Topological Polar Surface Area (TPSA) | 134.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (3,4,5-Trihydroxyoxan-2-yl) 6-hydroxy-6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-4-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b93d5f70-854a-11ee-87ac-a344cb0e7f92.jpg "2D Structure of (3,4,5-Trihydroxyoxan-2-yl) 6-hydroxy-6-methyl-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)hept-4-enoate")
| 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 | 95.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.66% | 97.25% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.20% | 85.31% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.11% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.71% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.33% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.55% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.40% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.34% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.15% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.31% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.74% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.57% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.57% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.56% | 91.19% |
| CHEMBL5028 | O14672 | ADAM10 | 83.29% | 97.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.15% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.73% | 89.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.55% | 95.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.53% | 97.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.78% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.66% | 86.92% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.47% | 93.03% |
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.
| There are no matching plants. |
| PubChem | 72808929 |
| LOTUS | LTS0132817 |
| wikiData | Q104935504 |