2-Methyl-3-(3,7,10,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione
| Internal ID | 3f777e05-d493-4915-a7d7-24054ef7d5c0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds |
| IUPAC Name | 2-methyl-3-(3,7,10,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione |
| SMILES (Canonical) | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCC(C)CCCCC(C)C |
| SMILES (Isomeric) | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCC(C)CCCCC(C)C |
| InChI | InChI=1S/C31H46O2/c1-22(2)12-7-8-13-23(3)18-19-24(4)14-11-15-25(5)20-21-27-26(6)30(32)28-16-9-10-17-29(28)31(27)33/h9-10,16-17,20,22-24H,7-8,11-15,18-19,21H2,1-6H3 |
| InChI Key | SHUZOJHMOBOZST-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H46O2 |
| Molecular Weight | 450.70 g/mol |
| Exact Mass | 450.349780706 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 10.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.24% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.35% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.56% | 91.49% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.28% | 85.94% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 88.37% | 92.51% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.26% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.98% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.31% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.03% | 99.23% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.11% | 93.31% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.48% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.73% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.72% | 92.97% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.63% | 82.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.08% | 99.17% |
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 |
| Gelsemium elegans |
| PubChem | 162952631 |
| LOTUS | LTS0146153 |
| wikiData | Q105115538 |