(5-hex-2-enoyloxy-6-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl) hex-2-enoate
| Internal ID | 6d6f36ff-4010-4abb-ba97-7194ed0c9798 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (5-hex-2-enoyloxy-6-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl) hex-2-enoate |
| SMILES (Canonical) | CCCC=CC(=O)OC1CCC2C(C(C(CC2(C1C)C)C(=C)C)O)OC(=O)C=CCCC |
| SMILES (Isomeric) | CCCC=CC(=O)OC1CCC2C(C(C(CC2(C1C)C)C(=C)C)O)OC(=O)C=CCCC |
| InChI | InChI=1S/C27H42O5/c1-7-9-11-13-23(28)31-22-16-15-21-26(32-24(29)14-12-10-8-2)25(30)20(18(3)4)17-27(21,6)19(22)5/h11-14,19-22,25-26,30H,3,7-10,15-17H2,1-2,4-6H3 |
| InChI Key | OHYNSHVRFQDLLU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O5 |
| Molecular Weight | 446.60 g/mol |
| Exact Mass | 446.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 7.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.01% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.35% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.93% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.81% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.39% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.26% | 96.77% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.22% | 89.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.06% | 94.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.17% | 94.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.71% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.47% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.97% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.31% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.24% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.53% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.26% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.11% | 100.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 83.05% | 91.67% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.29% | 95.71% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.07% | 97.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.65% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.98% | 89.00% |
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.
| Senecio erubescens |
| PubChem | 163099353 |
| LOTUS | LTS0221357 |
| wikiData | Q105192391 |