Tomophagusin B
| Internal ID | a39f2d3d-5049-4506-8271-819ea4882d3f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[(3R,3aR,6R,7R,9bR)-3a,9b-dimethyl-3-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2'-oxospiro[1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalene-6,5'-oxane]-7-yl]propan-2-yl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H44O6/c1-19-8-10-25(37-28(19)35)20(2)22-12-15-31(7)23-9-11-26(29(4,5)38-21(3)33)32(17-14-27(34)36-18-32)24(23)13-16-30(22,31)6/h8-9,13,20,22,25-26H,10-12,14-18H2,1-7H3/t20-,22+,25-,26-,30+,31-,32-/m0/s1 |
| InChI Key | VDKSDWRGGWZTPZ-UANBTYQASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H44O6 |
| Molecular Weight | 524.70 g/mol |
| Exact Mass | 524.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 5.90 |
| CHEMBL4553918 |
| 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 | 98.41% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.23% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.34% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.71% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.55% | 94.45% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.24% | 95.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.04% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.71% | 96.77% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.63% | 89.05% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.23% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.41% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.65% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.15% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.02% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.69% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.52% | 97.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.09% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.87% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.83% | 96.09% |
| CHEMBL5028 | O14672 | ADAM10 | 82.80% | 97.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.49% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.32% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 145720887 |
| LOTUS | LTS0210880 |
| wikiData | Q105284228 |