(8aS,9S,10aS)-2,2,4,4,10a-pentamethyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-1,3-dione
| Internal ID | 263d23f0-7080-4a0e-a5ea-861b158556f8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (8aS,9S,10aS)-2,2,4,4,10a-pentamethyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-1,3-dione |
| SMILES (Canonical) | CC(C)CC1C2CC(C=CC2(OC3=C1C(=O)C(C(=O)C3(C)C)(C)C)C)C(C)C |
| SMILES (Isomeric) | CC(C)C[C@H]1[C@@H]2CC(C=C[C@@]2(OC3=C1C(=O)C(C(=O)C3(C)C)(C)C)C)C(C)C |
| InChI | InChI=1S/C25H38O3/c1-14(2)12-17-18-13-16(15(3)4)10-11-25(18,9)28-21-19(17)20(26)23(5,6)22(27)24(21,7)8/h10-11,14-18H,12-13H2,1-9H3/t16?,17-,18-,25-/m0/s1 |
| InChI Key | BYYYEUMJHFRCAT-DKYZGSAZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O3 |
| Molecular Weight | 386.60 g/mol |
| Exact Mass | 386.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 6.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.03% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.23% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.27% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.13% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.91% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.74% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.87% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.89% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.90% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.43% | 94.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.22% | 91.24% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.48% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.46% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.32% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.17% | 86.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.93% | 95.71% |
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.
| There are no matching plants. |
| PubChem | 11794549 |
| LOTUS | LTS0224237 |
| wikiData | Q104950198 |