(2R)-2-[(3R,6R)-6-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-methyldioxan-3-yl]propanoic acid
| Internal ID | 4c36bd8f-7cf5-4919-a2f7-a55cbbb417f7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (2R)-2-[(3R,6R)-6-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-methyldioxan-3-yl]propanoic acid |
| SMILES (Canonical) | CC(C1CCC(OO1)(C)CCC2C(=C)CCCC2(C)C)C(=O)O |
| SMILES (Isomeric) | C[C@H]([C@H]1CC[C@@](OO1)(C)CC[C@H]2C(=C)CCCC2(C)C)C(=O)O |
| InChI | InChI=1S/C19H32O4/c1-13-7-6-10-18(3,4)15(13)8-11-19(5)12-9-16(22-23-19)14(2)17(20)21/h14-16H,1,6-12H2,2-5H3,(H,20,21)/t14-,15+,16-,19-/m1/s1 |
| InChI Key | ZZFAIQNFWFDKQO-YYAJDYIMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H32O4 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(3R,6R)-6-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-methyldioxan-3-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/cef58580-87e0-11ee-88d8-4b1709d1be96.jpg "2D Structure of (2R)-2-[(3R,6R)-6-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-6-methyldioxan-3-yl]propanoic acid")
| 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 | 96.77% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.36% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.84% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.20% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.14% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.98% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.52% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.09% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.94% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.48% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.33% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.21% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.09% | 97.50% |
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 | 163033617 |
| LOTUS | LTS0079121 |
| wikiData | Q105386757 |