(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl) acetate
| Internal ID | b559e43e-4396-42b3-ac79-8ed7841c56b2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Aromadendrane sesquiterpenoids > 5,10-cycloaromadendrane sesquiterpenoids |
| IUPAC Name | (1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl) acetate |
| SMILES (Canonical) | CC1CCC2C1C3C(C3(C)C)CCC2(C)OC(=O)C |
| SMILES (Isomeric) | CC1CCC2C1C3C(C3(C)C)CCC2(C)OC(=O)C |
| InChI | InChI=1S/C17H28O2/c1-10-6-7-12-14(10)15-13(16(15,3)4)8-9-17(12,5)19-11(2)18/h10,12-15H,6-9H2,1-5H3 |
| InChI Key | RBKZSYFCQJXCHB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O2 |
| Molecular Weight | 264.40 g/mol |
| Exact Mass | 264.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of (1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/1147-tetramethyl-234a5677a7b-octahydro-1ah-cyclopropaeazulen-4-yl-acetate.jpg "2D Structure of (1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.55% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.36% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.30% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.62% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.58% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.77% | 97.25% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.30% | 94.80% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.03% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.72% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.66% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.80% | 89.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.79% | 100.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.32% | 97.53% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.03% | 93.03% |
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.
| Thymus martinezii |
| PubChem | 162904896 |
| LOTUS | LTS0217198 |
| wikiData | Q105233166 |