4,4a,6a,6b,8a,11,11,14a-Octamethyl-1,2,4,5,6,6a,7,8,9,10,12,12a,13,14b-tetradecahydropicene-3,14-dione
| Internal ID | 907c6056-24a6-4ebb-9a99-fd36b83cb307 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,7,8,9,10,12,12a,13,14b-tetradecahydropicene-3,14-dione |
| SMILES (Canonical) | CC1C(=O)CCC2C1(CCC3C2(C(=O)CC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C |
| SMILES (Isomeric) | CC1C(=O)CCC2C1(CCC3C2(C(=O)CC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C |
| InChI | InChI=1S/C30H48O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(6)16-15-26(4)14-13-25(2,3)17-23(26)29(28,7)18-24(32)30(21,22)8/h19,21-23H,9-18H2,1-8H3 |
| InChI Key | KRAXVKNLVSFKDW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.70 g/mol |
| Exact Mass | 440.365430770 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 8.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.94% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.76% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.89% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.44% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.04% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.80% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.21% | 94.45% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.43% | 93.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.27% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.37% | 96.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.19% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.08% | 99.23% |
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.
| Drypetes gossweileri |
| Drypetes molunduana |
| PubChem | 162907005 |
| LOTUS | LTS0071225 |
| wikiData | Q105144908 |