4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,12,14a-octahydro-1H-picene-3,10-dione
| Internal ID | a0365250-8960-4eed-a687-11a3b58568f6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,12,14a-octahydro-1H-picene-3,10-dione |
| SMILES (Canonical) | CC1(CC2=C3C=CC4C5(CCC(=O)C(C5CCC4(C3(CCC2=CC1=O)C)C)(C)C)C)C |
| SMILES (Isomeric) | CC1(CC2=C3C=CC4C5(CCC(=O)C(C5CCC4(C3(CCC2=CC1=O)C)C)(C)C)C)C |
| InChI | InChI=1S/C29H40O2/c1-25(2)17-19-18(16-24(25)31)10-14-28(6)20(19)8-9-22-27(5)13-12-23(30)26(3,4)21(27)11-15-29(22,28)7/h8-9,16,21-22H,10-15,17H2,1-7H3 |
| InChI Key | OZXHGDBEMSKSQT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O2 |
| Molecular Weight | 420.60 g/mol |
| Exact Mass | 420.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 5.90 |
| 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 | 94.65% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.56% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.36% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.00% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.65% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.25% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.52% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.78% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.88% | 93.03% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.93% | 85.30% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.07% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.99% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.71% | 98.03% |
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.
| Tetrapanax papyrifer |
| PubChem | 163044932 |
| LOTUS | LTS0232829 |
| wikiData | Q105204212 |