(Z)-2-[2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol
| Internal ID | c2343d96-442a-49a5-b8f2-22525dacc854 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (Z)-2-[2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(C2CCC(=CCO)CO)(C)O)C)C |
| SMILES (Isomeric) | C[C@]12CCCC([C@H]1CC[C@@]([C@@H]2CC/C(=C/CO)/CO)(C)O)(C)C |
| InChI | InChI=1S/C20H36O3/c1-18(2)10-5-11-19(3)16(18)8-12-20(4,23)17(19)7-6-15(14-22)9-13-21/h9,16-17,21-23H,5-8,10-14H2,1-4H3/b15-9-/t16-,17-,19+,20-/m1/s1 |
| InChI Key | UMIKWXSGNYHYCE-OQAWGRECSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H36O3 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (Z)-2-[2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/eeadb8f0-85e1-11ee-8dab-81447e51f0b7.jpg "2D Structure of (Z)-2-[2-[(1R,2R,4aR,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]but-2-ene-1,4-diol")
| 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 | 97.90% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.48% | 91.11% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.74% | 95.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.39% | 96.09% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 89.85% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.11% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.79% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.45% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.00% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.38% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.85% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.64% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.62% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.53% | 97.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.79% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.57% | 92.94% |
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 | 162892203 |
| LOTUS | LTS0079398 |
| wikiData | Q105275573 |