6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-2H-phenanthren-9-one
| Internal ID | 790be66f-e541-4916-984f-238ef85de642 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-10,10a-dihydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(C=CCC3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(C=CCC3(C)C)C)O |
| InChI | InChI=1S/C20H26O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h6,8-10,12,18,21H,7,11H2,1-5H3 |
| InChI Key | UUMQFSDKOLOWTH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O2 |
| Molecular Weight | 298.40 g/mol |
| Exact Mass | 298.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.10 |
| 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 | 98.78% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.50% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.07% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.62% | 83.82% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.76% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.07% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.50% | 96.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.05% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.89% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.79% | 85.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.50% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.80% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.80% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.53% | 91.07% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.72% | 93.40% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.49% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.16% | 97.09% |
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.
| Cryptomeria japonica |
| PubChem | 162882533 |
| LOTUS | LTS0174787 |
| wikiData | Q105279452 |