Cohaerin I
| Internal ID | 8880963f-0d67-4bbd-b3e5-bef7d37716bd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (7R,8S)-7-hydroxy-3-[(1R,2R,4S)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3S)-3-methyl-2-oxononyl]-8H-isochromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H38O6/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/h11-12,15-17,19,21,26,28,32H,5-10,13-14H2,1-4H3/t16-,17+,19-,21-,26-,27+/m0/s1 |
| InChI Key | MVJYILMBJZNEOY-VJLCGJCQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H38O6 |
| Molecular Weight | 458.60 g/mol |
| Exact Mass | 458.26683893 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.50% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.50% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.70% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.09% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.15% | 94.80% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.14% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.41% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.20% | 98.03% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.91% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.23% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.24% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.86% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.51% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.40% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.02% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.21% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.08% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.69% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.69% | 93.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.81% | 98.59% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.69% | 97.29% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.62% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.43% | 91.19% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.94% | 89.63% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.81% | 100.00% |
| CHEMBL3837 | P07711 | Cathepsin L | 80.51% | 96.61% |
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 | 73212481 |
| LOTUS | LTS0103847 |
| wikiData | Q77504829 |