(1S,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
| Internal ID | e81420ce-31f8-492f-a601-643d70395f07 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1S,4aS,10aR)-1-hydroperoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene |
| SMILES (Canonical) | CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)OO)C |
| SMILES (Isomeric) | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@]([C@@H]3CC2)(C)OO)C |
| InChI | InChI=1S/C19H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-18(16,3)10-5-11-19(17,4)21-20/h6,8,12-13,17,20H,5,7,9-11H2,1-4H3/t17-,18-,19+/m1/s1 |
| InChI Key | SERPESJFVFFAKV-QRVBRYPASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H28O2 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
| 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 | 99.04% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.13% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.26% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.32% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.82% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.01% | 95.93% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.52% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.18% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.41% | 89.62% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.82% | 99.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.43% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.33% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.21% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.83% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.54% | 90.24% |
| CHEMBL240 | Q12809 | HERG | 82.11% | 89.76% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.78% | 93.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.76% | 91.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.37% | 92.94% |
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.
| Juniperus chinensis |
| PubChem | 101923612 |
| LOTUS | LTS0122703 |
| wikiData | Q105251461 |