1,4-Dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol
| Internal ID | 901b3002-6e0a-413d-8950-940cb008df18 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes |
| IUPAC Name | 1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4,8-triol |
| SMILES (Canonical) | CC(C)C1CCC(C2CCC(C2C1O)(C)O)(C)O |
| SMILES (Isomeric) | CC(C)C1CCC(C2CCC(C2C1O)(C)O)(C)O |
| InChI | InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3,17)11-6-8-15(4,18)12(11)13(10)16/h9-13,16-18H,5-8H2,1-4H3 |
| InChI Key | CXQOZINRAFPQEX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H28O3 |
| Molecular Weight | 256.38 g/mol |
| Exact Mass | 256.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.56% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.12% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.45% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.32% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.12% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.95% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.73% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.48% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.84% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.72% | 98.95% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.17% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.98% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.63% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.59% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.36% | 91.11% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.29% | 97.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.22% | 96.61% |
| CHEMBL204 | P00734 | Thrombin | 81.62% | 96.01% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.33% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.79% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.77% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.72% | 90.71% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.64% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.63% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.63% | 92.86% |
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.
| Acorus calamus |
| Lepechinia urbanii |
| Pluchea dioscoridis |
| Sinacalia tangutica |
| Teucrium leucocladum |
| PubChem | 92001737 |
| LOTUS | LTS0207438 |
| wikiData | Q104972004 |