[6-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate
| Internal ID | 3616d530-dc65-451e-80d5-8bddb4e2c54b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [6-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OCC1(CCCC2(C1CCC(C2CCC(=CCO)C)(C)O)C)C)C |
| SMILES (Isomeric) | CC(=CC(=O)OCC1(CCCC2(C1CCC(C2CCC(=CCO)C)(C)O)C)C)C |
| InChI | InChI=1S/C25H42O4/c1-18(2)16-22(27)29-17-23(4)12-7-13-24(5)20(23)10-14-25(6,28)21(24)9-8-19(3)11-15-26/h11,16,20-21,26,28H,7-10,12-15,17H2,1-6H3 |
| InChI Key | JRRMXXZTUUZDPE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42O4 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of [6-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b3dd7130-8538-11ee-bc9a-6fb0823fabde.jpg "2D Structure of [6-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate")
| 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 | 98.44% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.08% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.71% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.05% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.65% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.78% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.67% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.56% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.88% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.83% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.68% | 95.89% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.03% | 95.92% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.99% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.82% | 100.00% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 83.28% | 86.67% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.28% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.03% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.52% | 92.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.50% | 98.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.31% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.93% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.70% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.51% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.84% | 94.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.54% | 96.90% |
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.
| Olearia teretifolia |
| PubChem | 163016677 |
| LOTUS | LTS0192602 |
| wikiData | Q105134062 |