4,6,12,17,17-Pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one
| Internal ID | efea0eb3-9c1f-4e7d-b3bc-48be3a750614 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 4,6,12,17,17-pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one |
| SMILES (Canonical) | CC1CC(OC2C1C3(CCC45CC46CCC(=O)C(C6CCC5C3(C2)C)(C)C)C)C=C(C)C |
| SMILES (Isomeric) | CC1CC(OC2C1C3(CCC45CC46CCC(=O)C(C6CCC5C3(C2)C)(C)C)C)C=C(C)C |
| InChI | InChI=1S/C30H46O2/c1-18(2)14-20-15-19(3)25-21(32-20)16-28(7)23-9-8-22-26(4,5)24(31)10-11-29(22)17-30(23,29)13-12-27(25,28)6/h14,19-23,25H,8-13,15-17H2,1-7H3 |
| InChI Key | JIFKNMPAFUZVMR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O2 |
| Molecular Weight | 438.70 g/mol |
| Exact Mass | 438.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 4,6,12,17,17-Pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one](https://plantaedb.com/storage/docs/compounds/2023/11/b3fec960-82a3-11ee-a6bb-35d7e4df4dce.jpg "2D Structure of 4,6,12,17,17-Pentamethyl-8-(2-methylprop-1-enyl)-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.89% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.65% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.33% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.26% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.21% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.75% | 92.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.44% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.11% | 96.95% |
| CHEMBL204 | P00734 | Thrombin | 84.45% | 96.01% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.47% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.83% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.24% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.07% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 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.
| Lindheimera texana |
| PubChem | 162910206 |
| LOTUS | LTS0028088 |
| wikiData | Q105128989 |