(1R,4S,4aS,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol
| Internal ID | abc76dd5-e30e-4ce7-8f31-0aa882ce82b2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1R,4S,4aS,5S,6S,8aR)-4-(hydroxymethyl)-8a-methyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol |
| SMILES (Canonical) | CC(C)C1CCC2(C(CCC(C2C1O)(CO)O)O)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@]2([C@@H](CC[C@]([C@@H]2[C@H]1O)(CO)O)O)C |
| InChI | InChI=1S/C15H28O4/c1-9(2)10-4-6-14(3)11(17)5-7-15(19,8-16)13(14)12(10)18/h9-13,16-19H,4-8H2,1-3H3/t10-,11+,12-,13+,14-,15+/m0/s1 |
| InChI Key | MPIMWQFKDRBXGO-ZLCQRPCESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H28O4 |
| Molecular Weight | 272.38 g/mol |
| Exact Mass | 272.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 1.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.34% | 95.93% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.07% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.36% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.91% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.55% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.48% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.47% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.28% | 97.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.80% | 94.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.70% | 95.58% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.38% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.98% | 92.86% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 83.81% | 97.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.80% | 91.03% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.13% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.12% | 94.45% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.43% | 97.64% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.78% | 94.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.10% | 97.29% |
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.
| There are no matching plants. |
| PubChem | 15378285 |
| LOTUS | LTS0123489 |
| wikiData | Q105169547 |