6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
| Internal ID | f34e6f73-7166-427f-add0-bdbdc9491f9f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC(C)C1=C(C=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C=C2C(=C1)C(=O)C(=C3C2(CCCC3(C)C)C)O)O |
| InChI | InChI=1S/C20H26O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,21,23H,6-8H2,1-5H3 |
| InChI Key | XLUHSPYVUOVWRM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 5.30 |
| 140923-35-9 |
| 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 | 99.23% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.82% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.43% | 99.15% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.84% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.30% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.12% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.65% | 91.49% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.34% | 96.21% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.47% | 95.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.09% | 96.67% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.97% | 82.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.94% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.53% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.45% | 96.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.44% | 92.88% |
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 |
| Premna serratifolia |
| Salvia miltiorrhiza |
| Salvia montbretii |
| Salvia yunnanensis |
| PubChem | 78297419 |
| LOTUS | LTS0027737 |
| wikiData | Q105330412 |