(5-Hydroxy-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,5,7,8-octahydronaphthalen-2-yl) 5-(2-methylbut-2-enoyloxy)hex-2-enoate
Internal ID | a9d12fb5-88d9-42cd-a5bb-81c1159fe738 |
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-prop-1-en-2-yl-1,2,3,4,4a,5,7,8-octahydronaphthalen-2-yl) 5-(2-methylbut-2-enoyloxy)hex-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC(C)CC=CC(=O)OC1CCC2C(C(=O)C(CC2(C1C)C)C(=C)C)O |
SMILES (Isomeric) | CC=C(C)C(=O)OC(C)CC=CC(=O)OC1CCC2C(C(=O)C(CC2(C1C)C)C(=C)C)O |
InChI | InChI=1S/C26H38O6/c1-8-16(4)25(30)31-17(5)10-9-11-22(27)32-21-13-12-20-24(29)23(28)19(15(2)3)14-26(20,7)18(21)6/h8-9,11,17-21,24,29H,2,10,12-14H2,1,3-7H3 |
InChI Key | NBNCHLXKJUATKJ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H38O6 |
Molecular Weight | 446.60 g/mol |
Exact Mass | 446.26683893 g/mol |
Topological Polar Surface Area (TPSA) | 89.90 Ų |
XlogP | 5.30 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.79% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.99% | 90.17% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.08% | 96.38% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.82% | 94.45% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 91.62% | 91.07% |
CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 91.59% | 92.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.47% | 95.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.96% | 91.19% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.26% | 91.03% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.21% | 91.24% |
CHEMBL2581 | P07339 | Cathepsin D | 86.80% | 98.95% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.82% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.83% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.57% | 100.00% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.20% | 93.00% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.95% | 94.33% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.78% | 95.71% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.38% | 96.47% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.05% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.72% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.37% | 94.75% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.61% | 80.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.55% | 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 glanduloso-pilosus |
Senecio speciosus |
PubChem | 162940600 |
LOTUS | LTS0127760 |
wikiData | Q105176852 |