17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
| Internal ID | c0424ad9-bacc-4f4c-bf9e-8c0dd7b4b7b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-(5-hydroperoxy-6-methylhept-6-en-2-yl)-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O4/c1-18(2)23(34-33)10-9-19(3)20-11-16-30(8)26-21(12-15-29(20,30)7)28(6)14-13-25(32)27(4,5)24(28)17-22(26)31/h19-20,23-25,32-33H,1,9-17H2,2-8H3 |
| InChI Key | DYSGKRAFNMJFSM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O4 |
| Molecular Weight | 472.70 g/mol |
| Exact Mass | 472.35526001 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/8f779970-8655-11ee-895f-4d66725b2995.jpg "2D Structure of 17-(5-Hydroperoxy-6-methylhept-6-en-2-yl)-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.06% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.78% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.71% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.14% | 97.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.92% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.69% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.33% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.67% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.14% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.84% | 94.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.48% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.90% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.50% | 90.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.30% | 93.31% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.23% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.97% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.55% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.22% | 91.49% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.95% | 91.38% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.75% | 92.78% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.63% | 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.
| Euphorbia micractina |
| PubChem | 75033188 |
| LOTUS | LTS0081004 |
| wikiData | Q104991548 |