(1R,2S,4aS,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
| Internal ID | 7e63c00b-fda0-4ced-afdd-d161e87ff569 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (1R,2S,4aS,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| SMILES (Canonical) | CC(=CCO)CCC1C2(CCCC(C2CCC1(C)O)(C)C)C |
| SMILES (Isomeric) | C/C(=C\CO)/CC[C@@H]1[C@@]2(CCCC([C@@H]2CC[C@]1(C)O)(C)C)C |
| InChI | InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19+,20-/m0/s1 |
| InChI Key | LEOHDQKUMQKLMP-CLRGWMIFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.50 g/mol |
| Exact Mass | 308.271530387 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (1R,2S,4aS,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5318cc40-8708-11ee-aebd-091433ce5efa.jpg "2D Structure of (1R,2S,4aS,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol")
| 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 | 97.61% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.29% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.18% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.87% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.21% | 95.50% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 89.68% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.50% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 88.41% | 95.92% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.61% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.48% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.95% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.42% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.90% | 92.94% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.88% | 97.93% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.83% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.58% | 91.24% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.51% | 83.82% |
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.
| Leonurus japonicus |
| PubChem | 101297624 |
| LOTUS | LTS0232636 |
| wikiData | Q105150677 |