2,6-dihydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one
| Internal ID | ce7fc2a6-ab28-4dae-a543-8f849963f734 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2,6-dihydroxy-1,1,4a,7-tetramethyl-3,4-dihydro-2H-phenanthren-9-one |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C3(CCC(C(C3=CC2=O)(C)C)O)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)C3(CCC(C(C3=CC2=O)(C)C)O)C |
| InChI | InChI=1S/C18H22O3/c1-10-7-11-12(8-13(10)19)18(4)6-5-16(21)17(2,3)15(18)9-14(11)20/h7-9,16,19,21H,5-6H2,1-4H3 |
| InChI Key | XKTPGZPMUGPQQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O3 |
| Molecular Weight | 286.40 g/mol |
| Exact Mass | 286.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.48% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.64% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.87% | 98.95% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 92.09% | 95.52% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.05% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.06% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.62% | 90.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.35% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.32% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.83% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.40% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.64% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.82% | 91.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.63% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.27% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.27% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.43% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.54% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.24% | 99.15% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.22% | 90.93% |
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.
| Flueggea suffruticosa |
| PubChem | 73064754 |
| LOTUS | LTS0168091 |
| wikiData | Q105329705 |