(5-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl) 4-hex-2-enoyloxyhex-2-enoate
| Internal ID | 2c1158a8-d200-427a-b186-9888625d03df |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (5-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl) 4-hex-2-enoyloxyhex-2-enoate |
| SMILES (Canonical) | CCCC=CC(=O)OC(CC)C=CC(=O)OC1CCC2C(C(=O)C(=C(C)C)CC2(C1C)C)O |
| SMILES (Isomeric) | CCCC=CC(=O)OC(CC)C=CC(=O)OC1CCC2C(C(=O)C(=C(C)C)CC2(C1C)C)O |
| InChI | InChI=1S/C27H40O6/c1-7-9-10-11-23(28)32-19(8-2)12-15-24(29)33-22-14-13-21-26(31)25(30)20(17(3)4)16-27(21,6)18(22)5/h10-12,15,18-19,21-22,26,31H,7-9,13-14,16H2,1-6H3 |
| InChI Key | YCSNLVXCGGTCKP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O6 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.28248899 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 5.90 |
| 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 | 95.86% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.29% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.81% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.57% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.52% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.74% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.95% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.81% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.73% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.56% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.21% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.92% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.54% | 96.77% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.89% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.48% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.77% | 95.71% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.60% | 92.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.37% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.05% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.79% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.65% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.60% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.57% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.43% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.72% | 93.56% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.65% | 92.78% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.30% | 96.00% |
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 | 162901983 |
| LOTUS | LTS0092303 |
| wikiData | Q105346464 |