Cohaerin F
| Internal ID | 764b77e9-8210-4d49-9823-b04852e77cba |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (7R,8R)-7-hydroxy-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-8-(3-methyl-2-oxononyl)-8H-isochromen-6-one |
| SMILES (Canonical) | CCCCCCC(C)C(=O)CC1C2=COC(=CC2=CC(=O)C1(C)O)C3=C(CC(CC3=O)O)C |
| SMILES (Isomeric) | CCCCCCC(C)C(=O)C[C@@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)C3=C(CC(CC3=O)O)C |
| InChI | InChI=1S/C27H36O6/c1-5-6-7-8-9-16(2)22(29)14-21-20-15-33-24(11-18(20)12-25(31)27(21,4)32)26-17(3)10-19(28)13-23(26)30/h11-12,15-16,19,21,28,32H,5-10,13-14H2,1-4H3/t16?,19?,21-,27-/m1/s1 |
| InChI Key | MDZAMUBMPBLGAO-MMMYSLHOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H36O6 |
| Molecular Weight | 456.60 g/mol |
| Exact Mass | 456.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.50 |
| 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 | 98.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.29% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 93.92% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.28% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.66% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.51% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.91% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.78% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.55% | 92.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.88% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.55% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.95% | 96.61% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.60% | 97.29% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.48% | 97.79% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.22% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.22% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.17% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.78% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.48% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.18% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.29% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.92% | 98.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.83% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.71% | 90.08% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.50% | 98.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.32% | 94.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.30% | 93.67% |
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 | 11691066 |
| LOTUS | LTS0074000 |
| wikiData | Q77515082 |