methyl 5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoate
| Internal ID | 2e3c09db-096d-40e4-bab6-40c2d0df8df8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | methyl 5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoate |
| SMILES (Canonical) | CC(=CC(=O)OC)CCC1C2(CCCC(C2CCC1(C)O)(C)C)C |
| SMILES (Isomeric) | CC(=CC(=O)OC)CCC1C2(CCCC(C2CCC1(C)O)(C)C)C |
| InChI | InChI=1S/C21H36O3/c1-15(14-18(22)24-6)8-9-17-20(4)12-7-11-19(2,3)16(20)10-13-21(17,5)23/h14,16-17,23H,7-13H2,1-6H3 |
| InChI Key | BNYWADFAGBPZJB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H36O3 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.35% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.75% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.47% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.68% | 94.45% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.32% | 96.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.73% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.20% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.82% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.21% | 91.07% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 85.94% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.64% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.33% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.79% | 97.93% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.56% | 82.69% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.08% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.84% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.35% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.02% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.73% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.70% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.41% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.02% | 96.61% |
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.
| Hymenaea courbaril |
| Hymenaea verrucosa |
| Pinus strobus |
| Solidago altissima |
| Stevia salicifolia |
| PubChem | 72786075 |
| LOTUS | LTS0096008 |
| wikiData | Q104939103 |