4b,8,8-trimethyl-2-propan-2-yl-6,7,9,10-tetrahydro-5H-phenanthrene-3,4,8a-triol
| Internal ID | 8d7ccfb3-aa08-47ce-b5ea-3ed2482badca |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 4b,8,8-trimethyl-2-propan-2-yl-6,7,9,10-tetrahydro-5H-phenanthrene-3,4,8a-triol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)CCC3(C2(CCCC3(C)C)C)O)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)CCC3(C2(CCCC3(C)C)C)O)O)O |
| InChI | InChI=1S/C20H30O3/c1-12(2)14-11-13-7-10-20(23)18(3,4)8-6-9-19(20,5)15(13)17(22)16(14)21/h11-12,21-23H,6-10H2,1-5H3 |
| InChI Key | NQRRISXRTSRHFV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 4.70 |
| 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 | 97.97% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.90% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.62% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.59% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.54% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.21% | 93.99% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.42% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.09% | 99.15% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.96% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.33% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.73% | 95.56% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 85.20% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.58% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.39% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.03% | 91.07% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.71% | 91.79% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.17% | 91.65% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.11% | 93.67% |
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.
| Salvia microstegia |
| PubChem | 85446139 |
| LOTUS | LTS0102421 |
| wikiData | Q105184057 |