(3R,5R,8R)-3-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4,5,6,7,8-hexahydroazulen-1-one
| Internal ID | fbbe721a-4cb8-4e70-a94a-cfed2af74893 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3R,5R,8R)-3-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,4,5,6,7,8-hexahydroazulen-1-one |
| SMILES (Canonical) | CC1CCC(CC2=C1C(=O)CC2(C)O)C(=C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@H](CC2=C1C(=O)C[C@@]2(C)O)C(=C)C |
| InChI | InChI=1S/C15H22O2/c1-9(2)11-6-5-10(3)14-12(7-11)15(4,17)8-13(14)16/h10-11,17H,1,5-8H2,2-4H3/t10-,11-,15-/m1/s1 |
| InChI Key | DMGJIXSDTIWKOG-UEKVPHQBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.40 |
| 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 | 94.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.64% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.41% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.18% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.10% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.94% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.45% | 83.82% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.43% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.31% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.86% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.24% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.04% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.52% | 96.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.24% | 91.24% |
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.
| Jatropha integerrima |
| Joannesia princeps |
| PubChem | 101700054 |
| LOTUS | LTS0209595 |
| wikiData | Q104985075 |