(4aS,9R,10aS)-5-hydroxy-6,9-dimethoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
| Internal ID | db1f2d23-1583-4a21-a36a-c34255e0d293 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,9R,10aS)-5-hydroxy-6,9-dimethoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C(=C1)C(CC3C2(CCC(=O)C3(C)C)C)OC)O)OC |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C(=C1)[C@@H](C[C@H]3[C@@]2(CCC(=O)C3(C)C)C)OC)O)OC |
| InChI | InChI=1S/C22H32O4/c1-12(2)13-10-14-15(25-6)11-16-21(3,4)17(23)8-9-22(16,5)18(14)19(24)20(13)26-7/h10,12,15-16,24H,8-9,11H2,1-7H3/t15-,16-,22+/m1/s1 |
| InChI Key | VZMATVDJEYJHLC-MCFFVMPBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O4 |
| Molecular Weight | 360.50 g/mol |
| Exact Mass | 360.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.10 |
| 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 | 99.04% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.47% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.46% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.22% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.81% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.42% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.90% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.46% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.86% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.80% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.13% | 82.69% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.75% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.70% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.81% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.13% | 93.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.61% | 94.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.90% | 92.62% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.65% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.40% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.33% | 91.07% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.05% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.06% | 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.
| Torreya nucifera |
| PubChem | 163016545 |
| LOTUS | LTS0141042 |
| wikiData | Q105299837 |