[5,13,15-Trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate
| Internal ID | c9956b0f-7b63-43c7-95d8-e576b6fb3d07 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aphidicolane and stemodane diterpenoids |
| IUPAC Name | [5,13,15-trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1(CC(C23CC1CC2CCC4C3(CCC(C4(C)CO)O)C)O)O |
| SMILES (Isomeric) | CC(=O)OCC1(CC(C23CC1CC2CCC4C3(CCC(C4(C)CO)O)C)O)O |
| InChI | InChI=1S/C22H36O6/c1-13(24)28-12-21(27)10-18(26)22-9-15(21)8-14(22)4-5-16-19(2,11-23)17(25)6-7-20(16,22)3/h14-18,23,25-27H,4-12H2,1-3H3 |
| InChI Key | FGEIITSMDNIICS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O6 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [5,13,15-Trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/96e5f700-86f3-11ee-b263-0562559734b7.jpg "2D Structure of [5,13,15-Trihydroxy-6-(hydroxymethyl)-2,6-dimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.39% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.78% | 97.25% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.89% | 94.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.26% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.14% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.32% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.18% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.58% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.06% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.02% | 89.05% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.54% | 96.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.72% | 96.38% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.85% | 92.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.48% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.23% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.42% | 95.71% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.06% | 91.65% |
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.
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| There are no matching plants. |
| PubChem | 163075424 |
| LOTUS | LTS0092847 |
| wikiData | Q103818978 |