7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
| Internal ID | 93cebd85-1d24-417b-a624-7b0c548b0ca9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 7-hydroxy-1,1,4a-trimethyl-8-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=C(C=CC2=C1C(=O)CC3C2(CCCC3(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C=CC2=C1C(=O)CC3C2(CCCC3(C)C)C)O |
| InChI | InChI=1S/C20H28O2/c1-12(2)17-14(21)8-7-13-18(17)15(22)11-16-19(3,4)9-6-10-20(13,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3 |
| InChI Key | AYKJSPZJUSBRBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.60 |
| 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 | 99.19% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.20% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.76% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.72% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.43% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.54% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.54% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.60% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.31% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.14% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.09% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.54% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.31% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.16% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.07% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.77% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.83% | 89.00% |
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.
| Juniperus chinensis |
| Thujopsis dolabrata |
| PubChem | 14827281 |
| LOTUS | LTS0072845 |
| wikiData | Q104921173 |