3,5,6-Trimethyl-2-(3,7,10,15-tetramethylhexadecyl)cyclohex-2-en-1-one
| Internal ID | 1cfcb144-1cbb-44bd-a1ab-ef022001deda |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 3,5,6-trimethyl-2-(3,7,10,15-tetramethylhexadecyl)cyclohex-2-en-1-one |
| SMILES (Canonical) | CC1CC(=C(C(=O)C1C)CCC(C)CCCC(C)CCC(C)CCCCC(C)C)C |
| SMILES (Isomeric) | CC1CC(=C(C(=O)C1C)CCC(C)CCCC(C)CCC(C)CCCCC(C)C)C |
| InChI | InChI=1S/C29H54O/c1-21(2)12-9-10-13-22(3)16-17-23(4)14-11-15-24(5)18-19-28-26(7)20-25(6)27(8)29(28)30/h21-25,27H,9-20H2,1-8H3 |
| InChI Key | ZHVMTWBQNOFIAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H54O |
| Molecular Weight | 418.70 g/mol |
| Exact Mass | 418.417466342 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 11.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.95% | 90.71% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.43% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.82% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 88.88% | 86.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.70% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 85.85% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.71% | 90.08% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.38% | 94.80% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.45% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.43% | 94.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.04% | 97.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.94% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.03% | 94.73% |
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.
| Brassica oleracea |
| PubChem | 162976169 |
| LOTUS | LTS0063940 |
| wikiData | Q105376039 |