5,6,8,8a,9,10-hexahydro-8-hydroxymethyl-4b,8-dimethyl-2-(1-methylethyl)-1,4,7(4bH)-phenanthrenetrione
| Internal ID | 1cd6b971-5bfa-4e39-971a-0c36ed14eb9b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | 8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-6,8a,9,10-tetrahydro-5H-phenanthrene-1,4,7-trione |
| SMILES (Canonical) | CC(C)C1=CC(=O)C2=C(C1=O)CCC3C2(CCC(=O)C3(C)CO)C |
| SMILES (Isomeric) | CC(C)C1=CC(=O)C2=C(C1=O)CCC3C2(CCC(=O)C3(C)CO)C |
| InChI | InChI=1S/C20H26O4/c1-11(2)13-9-14(22)17-12(18(13)24)5-6-15-19(17,3)8-7-16(23)20(15,4)10-21/h9,11,15,21H,5-8,10H2,1-4H3 |
| InChI Key | RYYRZMIBKOKIRO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O4 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 2.70 |
| RYYRZMIBKOKIRO-UHFFFAOYSA-N |
| FT-0773718 |
| 5,6,8,8a,9,10-hexahydro-8-hydroxymethyl-4b,8-dimethyl-2-(1-methylethyl)-1,4,7(4bH)-phenanthrenetrione |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.64% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.25% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.28% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.70% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.86% | 94.75% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.36% | 93.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.70% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.40% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.92% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.93% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.78% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.65% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.18% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.05% | 93.03% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.93% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.26% | 97.09% |
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.
| Tripterygium doianum |
| Tripterygium wilfordii |
| PubChem | 19775902 |
| LOTUS | LTS0196729 |
| wikiData | Q105248232 |