[6-hydroxy-5-(5-hydroxy-3-methylpentyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 2-methylbut-2-enoate
| Internal ID | 7054b115-3b90-4919-a6a5-512633fa6c25 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [6-hydroxy-5-(5-hydroxy-3-methylpentyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC1(CCCC2(C1CCC(C2CCC(C)CCO)(C)O)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC1(CCCC2(C1CCC(C2CCC(C)CCO)(C)O)C)C |
| InChI | InChI=1S/C25H44O4/c1-7-19(3)22(27)29-17-23(4)13-8-14-24(5)20(23)11-15-25(6,28)21(24)10-9-18(2)12-16-26/h7,18,20-21,26,28H,8-17H2,1-6H3 |
| InChI Key | CSXQRUZQGRCJDJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H44O4 |
| Molecular Weight | 408.60 g/mol |
| Exact Mass | 408.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [6-hydroxy-5-(5-hydroxy-3-methylpentyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/e4bf4640-858c-11ee-b95f-4b6312b9a4d3.jpg "2D Structure of [6-hydroxy-5-(5-hydroxy-3-methylpentyl)-1,4a,6-trimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 2-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 | 99.07% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.89% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.79% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.76% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.64% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.24% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.04% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.10% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.82% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.69% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.41% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.82% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.79% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.42% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.39% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.20% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.77% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.31% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.99% | 89.05% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.14% | 95.92% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.10% | 96.61% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.62% | 95.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.35% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.28% | 96.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.31% | 93.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.07% | 92.50% |
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.
To see more specific details click the taxa you are interested in.
| Olearia teretifolia |
| PubChem | 162884573 |
| LOTUS | LTS0096262 |
| wikiData | Q104969631 |