4-(5-hydroxy-3-methylpentyl)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-2-ol
| Internal ID | c1267ab6-217e-480d-8604-8d7308d25bc4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 4-(5-hydroxy-3-methylpentyl)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-2-ol |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CCC(C)CCO)CC(C3C2(O3)C)O)C |
| SMILES (Isomeric) | CC1CCC2(C(C1(C)CCC(C)CCO)CC(C3C2(O3)C)O)C |
| InChI | InChI=1S/C20H36O3/c1-13(8-11-21)6-9-18(3)14(2)7-10-19(4)16(18)12-15(22)17-20(19,5)23-17/h13-17,21-22H,6-12H2,1-5H3 |
| InChI Key | LEVLAJDFMXXDME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O3 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 53.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 4-(5-hydroxy-3-methylpentyl)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6941a020-84ce-11ee-83c4-655b93869720.jpg "2D Structure of 4-(5-hydroxy-3-methylpentyl)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-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 | 97.82% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.31% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.60% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.71% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.20% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.03% | 96.61% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 89.89% | 98.46% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.65% | 92.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.49% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.58% | 95.93% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.15% | 95.36% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.15% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.12% | 89.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.98% | 91.49% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.12% | 95.50% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 82.73% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.55% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.08% | 82.69% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.82% | 97.64% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.92% | 98.10% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.71% | 98.05% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.61% | 96.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.32% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.09% | 91.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.03% | 98.33% |
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.
| Symphyopappus compressus |
| PubChem | 163001757 |
| LOTUS | LTS0186382 |
| wikiData | Q105150813 |