Chaxine B
| Internal ID | dc821fed-ad98-437b-8794-644d7bac297f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (4-hydroxy-1-methyl-2-oxocyclohexyl) (2Z)-2-[(1R,3aR,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene]acetate |
| SMILES (Canonical) | CC(C)C(C)C=CC(C)C1CCC2C1(CCC(=O)C2=CC(=O)OC3(CCC(CC3=O)O)C)C |
| SMILES (Isomeric) | CC(C)C(C)/C=C/C(C)[C@H]1CC[C@@H]\2[C@@]1(CCC(=O)/C2=C\C(=O)OC3(CCC(CC3=O)O)C)C |
| InChI | InChI=1S/C28H42O5/c1-17(2)18(3)7-8-19(4)22-9-10-23-21(24(30)12-13-27(22,23)5)16-26(32)33-28(6)14-11-20(29)15-25(28)31/h7-8,16-20,22-23,29H,9-15H2,1-6H3/b8-7+,21-16-/t18?,19?,20?,22-,23+,27-,28?/m1/s1 |
| InChI Key | HTXUAQKMNHGMFH-BUQUEDMSSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H42O5 |
| Molecular Weight | 458.60 g/mol |
| Exact Mass | 458.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 5.10 |
| (4-hydroxy-1-methyl-2-oxocyclohexyl) (2Z)-2-((1R,3aR,7aR)-1-((E)-5,6-dimethylhept-3-en-2-yl)-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene)acetate |
| (4-hydroxy-1-methyl-2-oxocyclohexyl) (2Z)-2-[(1R,3aR,7aR)-1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-5-oxo-1,2,3,3a,6,7-hexahydroinden-4-ylidene]acetate |
| RefChem:125088 |
| 1201264-22-3 |
| CHEBI:215997 |
| 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 | 95.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.59% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.94% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.42% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.36% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.22% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.73% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.56% | 93.67% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.89% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.73% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.87% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.39% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.14% | 91.07% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.53% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 82.86% | 97.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.41% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.36% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.15% | 95.93% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.85% | 88.81% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.71% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.16% | 95.89% |
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 | 139587340 |
| LOTUS | LTS0106096 |
| wikiData | Q77563665 |