3,6,9-Trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-6,6a,7,8,9,11,12,12a,13,14-decahydropicene-2,10-dione
| Internal ID | 15bed5a2-5b96-4fea-ad0f-de4a044478e2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids |
| IUPAC Name | 3,6,9-trihydroxy-4,6a,6b,8a,11,14a-hexamethyl-6,6a,7,8,9,11,12,12a,13,14-decahydropicene-2,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H38O5/c1-14-11-20-26(4,24(33)21(14)31)8-10-28(6)23-19(30)12-16-15(2)22(32)18(29)13-17(16)25(23,3)7-9-27(20,28)5/h12-14,19-20,23-24,30,32-33H,7-11H2,1-6H3 |
| InChI Key | XQNCHKOLFLXEDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O5 |
| Molecular Weight | 454.60 g/mol |
| Exact Mass | 454.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.68% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.62% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.59% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.91% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.95% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.73% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.50% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.67% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.49% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.39% | 92.94% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.93% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.22% | 99.23% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.90% | 95.38% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.64% | 86.00% |
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 | 85135629 |
| LOTUS | LTS0074845 |
| wikiData | Q105339898 |