(5-hydroxy-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,4a,5,8-hexahydro-1H-naphthalen-2-yl) 5-methyldodeca-2,4,6-trienoate
| Internal ID | 96afd3a5-17c7-4670-864a-adce01db0e11 |
| 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) 5-methyldodeca-2,4,6-trienoate |
| SMILES (Canonical) | CCCCCC=CC(=CC=CC(=O)OC1CCC2C(C(=O)C(=C(C)C)CC2(C1C)C)O)C |
| SMILES (Isomeric) | CCCCCC=CC(=CC=CC(=O)OC1CCC2C(C(=O)C(=C(C)C)CC2(C1C)C)O)C |
| InChI | InChI=1S/C28H42O4/c1-7-8-9-10-11-13-20(4)14-12-15-25(29)32-24-17-16-23-27(31)26(30)22(19(2)3)18-28(23,6)21(24)5/h11-15,21,23-24,27,31H,7-10,16-18H2,1-6H3 |
| InChI Key | GLHPDEOXPAUAPZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O4 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 7.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.64% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.44% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.37% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.79% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.74% | 98.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.90% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.05% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.80% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.63% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.85% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.84% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.89% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.33% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.52% | 89.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.11% | 94.66% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.92% | 95.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.76% | 97.05% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.54% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.16% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.10% | 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 | 162941282 |
| LOTUS | LTS0148992 |
| wikiData | Q105010938 |