[2-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-5,6-dihydroxy-6-methylhept-2-enyl] acetate
| Internal ID | 1e98cd42-91d3-4c54-a73f-0cb12025159a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-5,6-dihydroxy-6-methylhept-2-enyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H36O4/c1-8-22(7)12-11-17(13-19(22)15(2)3)18(14-26-16(4)23)9-10-20(24)21(5,6)25/h8-9,17,19-20,24-25H,1-2,10-14H2,3-7H3 |
| InChI Key | MGQIOAOGJKBJTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O4 |
| Molecular Weight | 364.50 g/mol |
| Exact Mass | 364.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [2-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-5,6-dihydroxy-6-methylhept-2-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl-56-dihydroxy-6-methylhept-2-enyl-acetate.jpg "2D Structure of [2-(4-Ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)-5,6-dihydroxy-6-methylhept-2-enyl] acetate")
| 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 | 99.83% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.79% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.67% | 91.19% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 92.30% | 95.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.25% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.04% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.81% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.75% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.40% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.00% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.17% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.96% | 85.31% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.94% | 96.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.40% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.63% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.24% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.63% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.59% | 91.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.37% | 98.75% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.21% | 89.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.19% | 96.61% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.11% | 89.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.70% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.41% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.22% | 100.00% |
| CHEMBL1801 | P00747 | Plasminogen | 81.92% | 92.44% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.74% | 96.90% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.51% | 97.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.55% | 97.21% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.53% | 91.49% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.40% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.18% | 91.07% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.05% | 95.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
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| There are no matching plants. |
| PubChem | 74051503 |
| LOTUS | LTS0158540 |
| wikiData | Q105163510 |