(4aR)-6,10-dihydroxy-1,1,4a,7-tetramethyl-3,4-dihydrophenanthrene-2,9-dione
| Internal ID | dd030d6e-84ea-45c9-a855-278a3608f19c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aR)-6,10-dihydroxy-1,1,4a,7-tetramethyl-3,4-dihydrophenanthrene-2,9-dione |
| SMILES (Canonical) | CC1=CC2=C(C=C1O)C3(CCC(=O)C(C3=C(C2=O)O)(C)C)C |
| SMILES (Isomeric) | CC1=CC2=C(C=C1O)[C@]3(CCC(=O)C(C3=C(C2=O)O)(C)C)C |
| InChI | InChI=1S/C18H20O4/c1-9-7-10-11(8-12(9)19)18(4)6-5-13(20)17(2,3)16(18)15(22)14(10)21/h7-8,19,22H,5-6H2,1-4H3/t18-/m1/s1 |
| InChI Key | ZZDCWODPQPPGMH-GOSISDBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.70 |
| 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 | 96.50% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.94% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.98% | 94.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.45% | 93.40% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.99% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.58% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.34% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.13% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.98% | 83.82% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.10% | 99.15% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.87% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.47% | 94.00% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 84.09% | 97.90% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.83% | 91.79% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.56% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.13% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.11% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.91% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.83% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.80% | 92.94% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.57% | 93.18% |
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.
| Jatropha curcas |
| PubChem | 53240371 |
| LOTUS | LTS0070300 |
| wikiData | Q105386696 |